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Artykuły w czasopismach na temat „Spin-orbit Coupling (SOC)”

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Data publikacji: 7 września 2023

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1

Jabbarzadeh Sani, Mahnaz. "Spin-Orbit Coupling Effect on the Electrophilicity Index, Chemical Potential, Hardness and Softness of Neutral Gold Clusters: A Relativistic Ab-initio Study." HighTech and Innovation Journal 2, no. 1 (2021): 38–50. http://dx.doi.org/10.28991/hij-2021-02-01-05.

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Electrophilicity index (𝜔) is related to the energy lowering associated with a maximum amount of electron flow between a donor and an acceptor and possesses adequate information regarding structure, stability, reactivity and interactions. Chemical potential (μ) measures charge transfer from a system to another having a lower value of μ, while chemical hardness (η) is a measure of characterizing relative stability of clusters. The main purpose of the present research work is to examine the Spin-Orbit Coupling (SOC) effect on the behavior of the electrophilicity index, chemical potential, hardne

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2

Jiang, Kun. "Correlation Renormalized and Induced Spin-Orbit Coupling." Chinese Physics Letters 40, no. 1 (2023): 017102. http://dx.doi.org/10.1088/0256-307x/40/1/017102.

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Interplay of spin-orbit coupling (SOC) and electron correlation generates a bunch of emergent quantum phases and transitions, especially topological insulators and topological transitions. We find that electron correlation will induce extra large SOC in multi-orbital systems under atomic SOC and change ground state topological properties. Using the Hartree–Fock mean field theory, phase diagrams of px /py orbital ionic Hubbard model on honeycomb lattice are well studied. In general, correction of strength of SOC δ λ ∝ (Uʹ–J). Due to breaking down of rotation symmetry, form of SOC on multi-orbit

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3

Huang, Peihao, and Xuedong Hu. "Spin manipulation and decoherence in a quantum dot mediated by a synthetic spin–orbit coupling of broken T-symmetry." New Journal of Physics 24, no. 1 (2021): 013002. http://dx.doi.org/10.1088/1367-2630/ac430c.

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Abstract The electrical control of a spin qubit in a quantum dot (QD) relies on spin–orbit coupling (SOC), which could be either intrinsic to the underlying crystal lattice or heterostructure, or extrinsic via, for example, a micro-magnet. In experiments, micromagnets have been used as a synthetic SOC to enable strong coupling of a spin qubit in quantum dots with electric fields. Here we study theoretically the spin relaxation, pure dephasing, spin manipulation, and spin–photon coupling of an electron in a QD due to the synthetic SOC induced spin–orbit mixing. We find qualitative difference in

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4

Zhang, Ning, Yunlong Xiao, and Wenjian Liu. "SOiCI and iCISO: combining iterative configuration interaction with spin–orbit coupling in two ways." Journal of Physics: Condensed Matter 34, no. 22 (2022): 224007. http://dx.doi.org/10.1088/1361-648x/ac5db4.

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Abstract The near-exact iCIPT2 approach for strongly correlated systems of electrons, which stems from the combination of iterative configuration interaction (iCI, an exact solver of full CI) with configuration selection for static correlation and second-order perturbation theory (PT2) for dynamic correlation, is extended to the relativistic domain. In the spirit of spin separation, relativistic effects are treated in two steps: scalar relativity is treated by the infinite-order, spin-free part of the exact two-component (X2C) relativistic Hamiltonian, whereas spin–orbit coupling (SOC) is trea

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5

Klebl, Lennart, Qiaoling Xu, Ammon Fischer, et al. "Moiré engineering of spin–orbit coupling in twisted platinum diselenide." Electronic Structure 4, no. 1 (2022): 014004. http://dx.doi.org/10.1088/2516-1075/ac49f5.

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Abstract We study the electronic structure and correlated phases of twisted bilayers of platinum diselenide using large-scale ab initio simulations combined with the functional renormalization group. PtSe2 is a group-X transition metal dichalcogenide, which hosts emergent flat bands at small twist angles in the twisted bilayer. Remarkably, we find that Moiré engineering can be used to tune the strength of Rashba spin–orbit interactions, altering the electronic behavior in a novel manner. We reveal that an effective triangular lattice with a twist-controlled ratio between kinetic and spin–orbit

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6

Griesbeck, Axel, and Seyma Bozkus. "Spin Photochemistry: Electron Spin Multiplicity as a Tool for Reactivity and Selectivity Control." CHIMIA 75, no. 10 (2021): 868. http://dx.doi.org/10.2533/chimia.2021.868.

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Spin chemistry involving small organic molecules without heavy atoms is highly sensitive to spin-orbit-coupling (SOC) modulating biradical conformation as well as hyperfine coupling (HFC) modulating magnetic isotope interactions. Several easily available reaction properties such as chemo-, regio-, and diastereoselectivity as well as quantum yields serve as analytical tools to follow intersystem crossing dynamics and allows titrating spin selectivities.

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7

Nan, T., T. J. Anderson, J. Gibbons, et al. "Anisotropic spin-orbit torque generation in epitaxial SrIrO3 by symmetry design." Proceedings of the National Academy of Sciences 116, no. 33 (2019): 16186–91. http://dx.doi.org/10.1073/pnas.1812822116.

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Spin-orbit coupling (SOC), the interaction between the electron spin and the orbital angular momentum, can unlock rich phenomena at interfaces, in particular interconverting spin and charge currents. Conventional heavy metals have been extensively explored due to their strong SOC of conduction electrons. However, spin-orbit effects in classes of materials such as epitaxial 5d-electron transition-metal complex oxides, which also host strong SOC, remain largely unreported. In addition to strong SOC, these complex oxides can also provide the additional tuning knob of epitaxy to control the electr

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8

Jia, Yi-zhen, Wei-xiao Ji, Chang-wen Zhang, Shu-feng Zhang, Ping Li, and Pei-ji Wang. "Films based on group IV–V–VI elements for the design of a large-gap quantum spin Hall insulator with tunable Rashba splitting." RSC Advances 7, no. 19 (2017): 11636–43. http://dx.doi.org/10.1039/c6ra28838c.

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9

FU, XI, and GUANG-HUI ZHOU. "SPIN ACCUMULATION IN A QUANTUM WIRE WITH THE COEXISTENCE OF RASHBA AND DRESSELHAUSE SPIN–ORBIT COUPLING." International Journal of Modern Physics B 25, no. 26 (2011): 3495–502. http://dx.doi.org/10.1142/s0217979211101338.

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We investigate theoretically the spin accumulation of a quantum wire nonadiabatically connected to two normal leads in the presence of Rashba and Dresselhaus spin–orbit coupling (SOC). Using scattering matrix approach within the effective free-electron approximation, three components of spin polarization have been calculated. It is demonstrated that for the Dresselhaus SOC case the out-of-plane spin polarization does not form spin accumulation, and when the two SOC terms coexist the influence of Rashba SOC to the out-of-plane spin accumulation is dominant and symmetry of the spin accumulation

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10

Singh, Ranber. "Spin–orbit splitting in graphene, silicene and germanene: Dependence on buckling." International Journal of Modern Physics B 32, no. 05 (2018): 1850055. http://dx.doi.org/10.1142/s0217979218500558.

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The spin–orbit splitting (E[Formula: see text]) of valence band maximum at the [Formula: see text] point is significantly smaller in 2D planner honeycomb structures of graphene, silicene, germanene and BN than that in the corresponding 3D bulk counterparts. For 2D planner honeycomb structure of SiC, it is almost same as that for 3D bulk cubic SiC. The bandgap which opens at the K and K[Formula: see text] points due to spin–orbit coupling (SOC) is very small in flat honeycomb structures of graphene and silicene, while in germanene it is about 2 meV. The buckling in these structures of graphene,

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11

Xiao, Yun-Chang, Ri-Xing Wang, and Ru-Shu Yang. "Dresselhaus spin-orbit coupling modulating pumps driven by triple potentials." Modern Physics Letters B 28, no. 19 (2014): 1450159. http://dx.doi.org/10.1142/s0217984914501590.

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In this paper, Dresselhaus spin-orbit coupling (SOC) modulating quantum pumps driven by triple time-dependent potentials are investigated, where the pump center are semiconductors connected to two normal leads. In detail, the parametric influence to the quantum pump current is studied by using the Floquet scattering technology, and mainly via the modulations of the potentials position, the SOC strength and component, the tunable currents pumped from the system are discussed.

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12

Yang, Rong, Bin Tang, and XiangYu Han. "Ab initio theory study of laser cooling of barium monohalides." RSC Advances 10, no. 35 (2020): 20778–83. http://dx.doi.org/10.1039/d0ra02211j.

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13

Shao, Ziji, Yanping Huang, Defang Duan, et al. "Stable structures and superconductivity of an At–H system at high pressure." Physical Chemistry Chemical Physics 20, no. 38 (2018): 24783–89. http://dx.doi.org/10.1039/c8cp04317e.

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The phase diagram, electronic properties and superconductivity of an At–H system at high pressure are investigated through first principles calculation considering the effect of spin–orbit coupling (SOC).

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14

Zhao, Duo, Xiaolei Wang, Zhijie Wang, and Dahai Wei. "Tuning superconductivity with spin–orbit coupling and proximity effects in ferromagnet/superconductor/ heavy metal heterostructures." Journal of Physics D: Applied Physics 55, no. 17 (2022): 175301. http://dx.doi.org/10.1088/1361-6463/ac4cf6.

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Abstract In superconducting/ferromagnet heterostructures, spin-triplet Cooper pairs that carry spin information are crucial for the realization of superconducting spintronics. It has been theoretically proposed that they can be generated and controlled by the magnetic proximity effect and spin–orbit coupling (SOC), resulting in a change in the critical temperature (T C). However, experiments are still lacking, which limits the development of device applications. Here, we fabricate a series of Co/Nb/Pt heterostructures and reference samples, where the SOC and magnetic proximity can be independe

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15

Safeer, C. K., Franz Herling, Won Young Choi, et al. "Reliability of spin-to-charge conversion measurements in graphene-based lateral spin valves." 2D Materials 9, no. 1 (2021): 015024. http://dx.doi.org/10.1088/2053-1583/ac3c9b.

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Abstract Understanding spin physics in graphene is crucial for developing future two-dimensional spintronic devices. Recent studies show that efficient spin-to-charge conversions (SCCs) via either the inverse spin Hall effect or the inverse Rashba–Edelstein effect (IREE) can be achieved in graphene by proximity with an adjacent spin–orbit coupling (SOC) material. Lateral spin valve devices, made up of a graphene Hall bar and ferromagnets, are best suited for such studies. Here, we report that signals mimicking the IREE can be measured in pristine graphene possessing negligible SOC, confirming

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16

Xiong, Wenqi, Congxin Xia, Yuting Peng, et al. "Spin–orbit coupling effects on electronic structures in stanene nanoribbons." Physical Chemistry Chemical Physics 18, no. 9 (2016): 6534–40. http://dx.doi.org/10.1039/c5cp07140b.

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17

XU, ZHONGHUI, XIANBO XIAO, and YUGUANG CHEN. "SPIN-DEPENDENT ELECTRON TRANSPORT THROUGH A THREE-TERMINAL MESOSCOPIC SPIN-ORBIT COUPLED SYSTEMS." International Journal of Modern Physics B 27, no. 07 (2013): 1361003. http://dx.doi.org/10.1142/s0217979213610031.

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We studied theoretically the spin-dependent electron transport properties of a three-terminal nanostructure proposed by Xiao and Chen [J. Appl. Phys.1, 108 (2010)]. The spin-resolved recursive Green's function method is used to calculate the three-terminal spin-polarization. We focus on the influence both of the structural parameters and Rashba spin–orbit coupling (SOC) strength in the investigated system. It is shown that the spin-polarization is still a reasonable value for being observable in experiment with small Rashba SOC strength and longer length of the wide region in the investigated

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18

Guo, San-Dong. "Thermoelectric properties of half-Heusler ZrNiPb by using first principles calculations." RSC Advances 6, no. 53 (2016): 47953–58. http://dx.doi.org/10.1039/c6ra08461c.

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We investigate the electronic structures and thermoelectric properties of a recently synthesized half-Heusler ZrNiPb compound by using a generalized gradient approximation (GGA) and GGA plus spin–orbit coupling (GGA + SOC).

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19

Fu, Xi, Wenhu Liao, and Guanghui Zhou. "Spin Accumulation in a Quantum Wire with Rashba Spin-Orbit Coupling." Advances in Condensed Matter Physics 2008 (2008): 1–5. http://dx.doi.org/10.1155/2008/152731.

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We investigate theoretically the spin accumulation in a Rashba spin-orbit coupling quantum wire. Using the scattering matrix approach within the effective free-electron approximation, we have demonstrated the three components of spin polarization. It is found that by a few numerical examples, the two peaks for the out-of-plane spin accumulation〈Sz〉shift to the edges of quantum wire with the increase of propagation modes. The period of intrinsic oscillations〈Sx/y〉inversely proportions to the Rashba SOC strength. This effect may be used to differentiate the intrinsic spin accumulation from the e

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20

Gaggioli, Carlo Alberto, Leonardo Belpassi, Francesco Tarantelli, Daniele Zuccaccia, Jeremy N. Harvey, and Paola Belanzoni. "Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition." Chemical Science 7, no. 12 (2016): 7034–39. http://dx.doi.org/10.1039/c6sc02161a.

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21

Tyagi, Udai Prakash, Kakoli Bera, and Partha Goswami. "Fledgling Quantum Spin Hall Effect in Pseudo Gap Phase of Bi2212." Symmetry 14, no. 8 (2022): 1746. http://dx.doi.org/10.3390/sym14081746.

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We studied the emergence of the quantum spin Hall (QSH) states for the pseudo-gap (PG) phase of Bi2212 bilayer system, assumed to be D-density wave (DDW) ordered, starting with a strong Rashba spin-orbit coupling (SOC) armed, and the time reversal symmetry (TRS) complaint Bloch Hamiltonian. The presence of strong SOC gives rise to non-trivial, spin-momentum locked spin texture tunable by electric field. The emergence of quantum anomalous Hall effect with TRS broken Chiral DDW Hamiltonian of Das Sarma et al. is found to be possible.

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22

Sharma, Chithra H., Pai Zhao, Lars Tiemann, et al. "Electron spin resonance in a proximity-coupled MoS₂/graphene van der Waals heterostructure." AIP Advances 12, no. 3 (2022): 035111. http://dx.doi.org/10.1063/5.0077077.

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Coupling graphene’s excellent electron and spin transport properties with a higher spin–orbit coupling (SOC) material allows tackling the hurdle of spin manipulation in graphene due to the proximity to van der Waals layers. Here, we use magneto-transport measurements to study the electron spin resonance on a combined system of graphene and MoS2 at 1.5 K. The electron spin resonance measurements are performed in the frequency range of 18–33 GHz, which allows us to determine the g-factor in the system. We measure the average g-factor of 1.91 for our hybrid system, which is a considerable shift c

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23

Gaggioli, Carlo Alberto, Leonardo Belpassi, Francesco Tarantelli, Jeremy N. Harvey, and Paola Belanzoni. "The ligand effect on the oxidative addition of dioxygen to gold(i)–hydride complexes." Dalton Transactions 46, no. 35 (2017): 11679–90. http://dx.doi.org/10.1039/c7dt02170d.

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The activation energy barriers of the O<sub>2</sub> to [LAuH] oxidative addition, calculated by including spin–orbit coupling (SOC) effects, quantitatively correlate with the σ donation component of the L–AuH bond.

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24

Santana-Suárez, E., and F. Mireles. "Impact of the p-cubic Dresselhaus term on the spin Hall effect." Condensed Matter Physics 26, no. 1 (2023): 13504. http://dx.doi.org/10.5488/cmp.26.13504.

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It is well known that the Dresselhaus spin-orbit coupling (SOC) in semiconductor two dimensional electron gases (2DEGs) possesses both linear and cubic in momentum contributions. Nevertheless, the latter is usually neglected in most theoretical studies. However, recent Kerr rotation experiments have revealed a significant enhancement of the cubic Dresselhaus interaction by increasing the drift velocities in 2DEGs hosted in GaAs quantum wells. Here, we present a study of the optical spin Hall conductivity in 2DEGs under the simultaneous presence of Rashba and (linear plus cubic) Dresselhaus SOC

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25

Liu, Qi, and WanZhen Liang. "Structure and property tunability in monolayer halide lead-free double hybrid perovskites: effects of Rashba and biaxial strain." Journal of Materials Chemistry A 7, no. 18 (2019): 11487–96. http://dx.doi.org/10.1039/c9ta01647c.

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Due to the unequal effect of spin–orbit coupling (SOC) interaction on the band structure, pristine MA<sub>4</sub>[AgBi]Br<sub>8</sub> possesses an indirect band gap. However, both its band gap and SOC effect are sensitive to the strain, and >%2 stretching ratio can turn it into a direct-band semiconductor.

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26

Kore, Ashish, Nisa Ara, and Poorva Singh. "First principle based investigation of topological insulating phase in half-Heusler family NaYO (Y = Ag, Au, and Cu)." Journal of Physics: Condensed Matter 34, no. 20 (2022): 205501. http://dx.doi.org/10.1088/1361-648x/ac57d7.

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Abstract The ternary half-Heusler compounds have shown great potential for realizing new 3D topological insulators. With band gap tuning and spin orbit coupling these compounds may undergo topological phase transitions. In present work, we explore the possibility of realizing a topological insulating phase in half-Heusler family NaYO (Y = Ag, Au, and Cu). We find that for NaAgO, external strain (∼19%) along with spin–orbit coupling (SOC), is required to achieve band-inversion at Γ high-symmetry point and leads to phase transition from trivial to non-trivial topological insulating phase. In cas

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27

Fan, W. J., Z. Shi, F. L. Chen, and S. M. Zhou. "Tuning Effects of Spin–Orbit Coupling in L10 Ordered and Disordered FePdPt Films." SPIN 05, no. 03 (2015): 1530004. http://dx.doi.org/10.1142/s2010324715300042.

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Effects of spin–orbit coupling (SOC) on magnetocrystalline anisotropy, magneto-optical Kerr effect (MOKE), magnetic damping parameter and anomalous Hall effect (AHE) have been studied in theory extensively. In contrast, few experimental reports have appeared on these issues. In this review paper, we introduce our recent experimental investigation on the SOC tuning effects on the perpendicular magnetic anisotropy, polar MOKE, intrinsic magnetic damping parameter and AHE in L10 ordered [Formula: see text] ternary alloys. We also outline the SOC effects in polycrystalline disordered [Formula: see

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28

Xiao, Zheng-Yu, Yong-Ji Li, Wei Zhang, et al. "Enhancement of torque efficiency and spin Hall angle driven collaboratively by orbital torque and spin–orbit torque." Applied Physics Letters 121, no. 7 (2022): 072404. http://dx.doi.org/10.1063/5.0086125.

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Spin–orbit torque (SOT) has been extensively applied to magnetization manipulation in low power consumption logic and memory devices. However, it is believed that materials with strong spin–orbit coupling (SOC) are indispensable for magnetic torque generation. Recently, theoretical studies have indicated that the oxides of light materials with weak SOC can provide a sizable orbital torque (OT), inducing magnetization switching. Here, we experimentally report the extreme enhancement of torque efficiency and spin Hall angle through the natural oxidation of Cu with weak SOC in the perpendicularly

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29

Li, Hongwei, Shuxiang Wu, Dan Li, Gaili Wang, Ping Hu, and Shuwei Li. "Tailoring anomalous Hall effect by spin–orbit coupling in epitaxial Au/Fe₄N bilayers." Applied Physics Letters 121, no. 26 (2022): 262401. http://dx.doi.org/10.1063/5.0120075.

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Anomalous Hall effect (AHE) is one of the most fascinating topics in condensed matter physics related to spin–orbit coupling (SOC). In this paper, we report on the AHE of high-quality epitaxial Au/Fe4N bilayer films, which were grown by a plasma-assisted molecular beam epitaxy system. A scaling involving multiple competing scattering mechanisms and a shunting model were adopted to analyze the AHE in detail. Compared with Fe4N single layers and Cu/Fe4N bilayers, the AHE of Au/Fe4N bilayers is dramatically modified by strong SOC of the Au layer. Analysis has shown that aside from extra scatterin

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30

Chen, Liang. "Hall effects in monolayer MoS2 with spin-orbit coupling under the shining of a circularly polarized light." Modern Physics Letters B 34, no. 16 (2020): 2050181. http://dx.doi.org/10.1142/s021798492050181x.

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In this paper, we study Hall effects of the monolayer MoS2 with Rashba and Ising spin-orbit coupling (SOC) under the application of a circularly polarized light. The Chern number and spin textures at high frequency regime are studied based on the Floquet theory. We found that the SOCs induced valley Hall effect. The sign of Chern numbers at high frequency regime can be reversed by engineering interplay between Ising SOC and light intensity. The system undergoes a topological phase transition from valley Hall state to anomalous Hall state. By analyzing the spin texture, we study the origin of t

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31

Fan, Yabin, and Kang L. Wang. "Spintronics Based on Topological Insulators." SPIN 06, no. 02 (2016): 1640001. http://dx.doi.org/10.1142/s2010324716400014.

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Spintronics using topological insulators (TIs) as strong spin–orbit coupling (SOC) materials have emerged and shown rapid progress in the past few years. Different from traditional heavy metals, TIs exhibit very strong SOC and nontrivial topological surface states that originate in the bulk band topology order, which can provide very efficient means to manipulate adjacent magnetic materials when passing a charge current through them. In this paper, we review the recent progress in the TI-based magnetic spintronics research field. In particular, we focus on the spin–orbit torque (SOT)-induced m

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32

Wang, Zhen-Hua, Fuming Xu, Lin Li, et al. "Spin–orbit proximity effect and topological superconductivity in graphene/transition-metal dichalcogenide nanoribbons." New Journal of Physics 23, no. 12 (2021): 123002. http://dx.doi.org/10.1088/1367-2630/ac33f5.

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Abstract Spin–orbit coupling (SOC) plays a determinate role in spintronics and topological physics. Previous studies indicate that the SOC in graphene nanoribbon (GNR) can be enhanced by the proximity effect from two-dimensional transition-metal dichalcogenide (2D-TMD). However, the bulk inversion symmetry of GNR/2D-TMD restricts further increase of the proximity-induced SOC in GNR. In this view, we introduce a TMD nanoribbon (TMDNR) with finite width, and propose three methods to break the bulk inversion symmetry, i.e. defects in TMDNR, spatial interlayer edge coupling, and twist between GNR

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33

Chen, Xu-Lin, Rongmin Yu, Xiao-Yuan Wu, Dong Liang, Ji-Hui Jia, and Can-Zhong Lu. "Correction: A strongly greenish-blue-emitting Cu4Cl4 cluster with an efficient spin–orbit coupling (SOC): fast phosphorescence versus thermally activated delayed fluorescence." Chemical Communications 52, no. 49 (2016): 7738. http://dx.doi.org/10.1039/c6cc90240e.

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Correction for ‘A strongly greenish-blue-emitting Cu<sub>4</sub>Cl<sub>4</sub> cluster with an efficient spin–orbit coupling (SOC): fast phosphorescence versus thermally activated delayed fluorescence’ by Xu-Lin Chen et al., Chem. Commun., 2016, 52, 6288–6291.

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Rømer, A. T., and B. M. Andersen. "Fluctuation-driven superconductivity in Sr2RuO4 from weak repulsive interactions." Modern Physics Letters B 34, no. 19n20 (2020): 2040052. http://dx.doi.org/10.1142/s0217984920400527.

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We provide results for the leading superconducting instabilities for a model pertaining to [Formula: see text] obtained within spin-fluctuation mediated superconductivity in the very weak-coupling limit. The theory incorporates spin–orbit coupling (SOC) effects both in the band structure and in the pairing kernel in the form of associated magnetic anisotropies. The leading superconducting phase is found to be [Formula: see text] and a nodal [Formula: see text]-wave state. However, the odd-parity helical solution can become leading either for small SOC and Hund’s coupling [Formula: see text] in

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35

Guedes-Sobrinho, Diego, Renato P. Orenha, Renato L. T. Parreira, Glaucio R. Nagurniak, Gabriel Reynald Da Silva, and Maurício J. Piotrowski. "The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters." Physical Chemistry Chemical Physics 24, no. 11 (2022): 6515–24. http://dx.doi.org/10.1039/d2cp00148a.

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The complexity of Cu13, Ag13, and Au13 coinage-metal clusters was investigated through their energy contributions via a density functional theory study, considering improvements in the PBE functional, such as van der Waals (vdW) corrections, spin–orbit coupling (SOC), Hubbard term (+U), and their combinations.

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GONG, BAIHUA, XIN-HUI ZHANG, ER-HU ZHANG, and SHENG-LI ZHANG. "SPIN-ORBIT COUPLING IN GRAPHENE UNDER UNIAXIAL STRAIN: TIGHT-BINDING APPROACH AND FIRST-PRINCIPLES CALCULATIONS." Modern Physics Letters B 25, no. 11 (2011): 823–30. http://dx.doi.org/10.1142/s0217984911026097.

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Tuning the spin-orbit coupling (SOC) in graphene is highly desired for its application in spintronics. In this paper, we calculated the band gap induced by SOC in graphene under uniaxial strain from a tight-binding model, and found that the band gap has a monotonic increasing dependence on the strain in the range of -20% to 15%. Our results suggest that strain can be used as a reversible and controllable way to tune the SOC in graphene. First-principles calculations were performed, confirming the results of tight-binding approximation.

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Fumanal, M., E. Gindensperger, and C. Daniel. "Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO)3(phen)(L)]+ (L = imidazole, pyridine): non-adiabatic quantum dynamics." Physical Chemistry Chemical Physics 20, no. 2 (2018): 1134–41. http://dx.doi.org/10.1039/c7cp07540e.

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The C<sub>s</sub> conformers of [Re(CO)<sub>3</sub>(phen)(L)]<sup>+</sup> (L = imidazole, pyridine) complexes are investigated by means of density functional theory (DFT/time-dependent DFT (TD-DFT)) electronic structure calculations and non-adiabatic quantum dynamics including spin–orbit coupling (SOC).

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Jekal, Soyoung, Andreas Danilo, Dao Phuong, and Xiao Zheng. "First-Principles Prediction of Skyrmionic Phase Behavior in GdFe2 Films Capped by 4d and 5d Transition Metals." Applied Sciences 9, no. 4 (2019): 630. http://dx.doi.org/10.3390/app9040630.

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In atomic GdFe 2 films capped by 4d and 5d transition metals, we show that skyrmions with diameters smaller than 12 nm can emerge. The Dzyaloshinskii–Moriya interaction (DMI), exchange energy, and the magnetocrystalline anisotropy (MCA) energy were investigated based on density functional theory. Since DMI and MCA are caused by spin–orbit coupling (SOC), they are increased with 5d capping layers which exhibit strong SOC strength. We discover a skyrmion phase by using atomistic spin dynamic simulations at small magnetic fields of ∼1 T. In addition, a ground state that a spin spiral phase is rem

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Marian, Christel M. "Understanding and Controlling Intersystem Crossing in Molecules." Annual Review of Physical Chemistry 72, no. 1 (2021): 617–40. http://dx.doi.org/10.1146/annurev-physchem-061020-053433.

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This review article focuses on the understanding of intersystem crossing (ISC) in molecules. It addresses readers who are interested in the phenomenon of intercombination transitions between states of different electron spin multiplicities but are not familiar with relativistic quantum chemistry. Among the spin-dependent interaction terms that enable a crossover between states of different electron spin multiplicities, spin–orbit coupling (SOC) is by far the most important. If SOC is small or vanishes by symmetry, ISC can proceed by electronic spin–spin coupling (SSC) or hyperfine interaction

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Jia, Hong Ying, Xue Fang Dai, Li Ying Wang, et al. "The Effect of Spin-Orbit Coupling on the Electronic Structures and Half-Metallicity of Heusler Compounds: V₂ReZ (Z=Al, Ga, ln)." Advanced Materials Research 683 (April 2013): 211–17. http://dx.doi.org/10.4028/www.scientific.net/amr.683.211.

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We have studied the influence of spin-orbit coupling (SOC) on the electronic structures and half-metallicity for the V2ReZ (Z=Al, Ga, In) compounds. It was found that the SOC has a slight influence on the whole configuration of the electronic structure and the degenerated states were split into several singlet states at the high-symmetry points. The egand t1ustates near the Fermi level are not sensitive to the SOC. The t2gstates composed of the side of half-metallic gap are sensitive to the SOC. The dispersivity of t2gstates was strongly reduced, which lead to an increase of the valence electr

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Bhandari, Shalika Ram, Sarita Lawaju, Santosh KC, Gopi Chandra Kaphle, and Madhav Prasad Ghimire. "Electronic Structure and Magnetic Properties of Double Perovskites Ca2MnIrO6." BIBECHANA 19, no. 1-2 (2022): 127–32. http://dx.doi.org/10.3126/bibechana.v19i1-2.46404.

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Using the density functional theory formalism, electronic and magnetic properties of double perovskites Ca2MnIrO6 are investigated. We found ferrimagnetic ground state with half-metallic nature in Ca2MnIrO6. The electron-correlation, crystal distortion, and spin-orbit coupling (SOC) plays significant role in dictating the electronic properties in this system. From the density of states calculations, a strong hybridization were noted between O-2p, Ir-5d and Mn-3d states resulting Ca2MnIrO6 to half-metal (HM) with metallic state in spin up channel and insulating state in spin-down channel. The H

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López, Alexander, Solmar Varela, and Ernesto Medina. "Radiation modulated spin coupling in a double-stranded DNA model." Journal of Physics: Condensed Matter 34, no. 13 (2022): 135301. http://dx.doi.org/10.1088/1361-648x/ac48c1.

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Abstract The spin activity in macromolecules such as DNA and oligopeptides, in the context of the chiral induced spin selectivity has been proposed to be due to the atomic spin–orbit coupling (SOC) and the associated chiral symmetry of the structures. This coupling, associated with carbon, nitrogen and oxygen atoms in biological molecules, albeit small (meV), can be enhanced by the geometry, and strong local polarization effects such as hydrogen bonding. A novel way to manipulate the spin degree of freedom is by modifying the spectrum using a coupling to the appropriate electromagnetic radiati

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Aryal, Niraj, and Efstratios Manousakis. "Role of electron correlations in some Weyl systems." Journal of Physics: Conference Series 2122, no. 1 (2021): 012002. http://dx.doi.org/10.1088/1742-6596/2122/1/012002.

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Abstract We are discussing a model to understand previously obtained results on Weyl semimetals as realized in MoTe2 using DFT and DFT+U calculations. The model is motivated from general principles and we use it to investigate the effects of Coulomb correlations originating from the localized nature of the Mo-d orbitals. We find that such correlations can eliminate or create pairs of Weyl points as the strength of the Coulomb interaction is varied. The effect of the spin-orbit coupling (SOC) is to split each Weyl point, which is assumed present in the absence of SOC, into pairs of spin-chiral

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Lv, Ming-Hao, Chang-Ming Li, and Wei-Feng Sun. "Spin-Orbit Coupling and Spin-Polarized Electronic Structures of Janus Vanadium-Dichalcogenide Monolayers: First-Principles Calculations." Nanomaterials 12, no. 3 (2022): 382. http://dx.doi.org/10.3390/nano12030382.

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Phonon and spintronic structures of monolayered Janus vanadium-dichalcogenide compounds are calculated by the first-principles schemes of pseudopotential plane-wave based on spin-density functional theory, to study dynamic structural stability and electronic spin-splitting due to spin-orbit coupling (SOC) and spin polarization. Geometry optimizations and phonon-dispersion spectra demonstrate that vanadium-dichalcogenide monolayers possess a high enough cohesive energy, while VSTe and VTe2 monolayers specially possess a relatively higher in-plane elastic coefficient and represent a dynamically

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Decaroli, C., A. M. Arevalo-Lopez, C. H. Woodall, et al. "(C4H12N2)[CoCl4]: tetrahedrally coordinated Co2+without the orbital degeneracy." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71, no. 1 (2015): 20–24. http://dx.doi.org/10.1107/s2052520614024809.

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We report on the synthesis, crystal structure and magnetic properties of a previously unreported Co2+S = {3\over 2} compound, (C4H12N2)[CoCl4], based upon a tetrahedral crystalline environment. The S = {3\over 2} magnetic ground state of Co2+, measured with magnetization, implies an absence of spin-orbit coupling and orbital degeneracy. This contrasts with compounds based upon an octahedral and even known tetrahedral Co2+[Cottonet al.(1961).J. Am. Chem. Soc.83, 4690] systems where a sizable spin-orbit coupling is measured. The compound is characterized with single-crystal X-ray diffraction, ma

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Yang, Shuai-Quan, Mao-Wang Lu, Qing-Meng Guo, Ying-Jie Qin та Shi-Shi Xie. "Manipulating Electron-Spin Polarization via a δ-Potential in an Embedded Magnetic-Electric-Barrier Microstructure". Journal of Nanoelectronics and Optoelectronics 16, № 9 (2021): 1417–22. http://dx.doi.org/10.1166/jno.2021.3094.

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We theoretically explore how to manipulate electron-spin polarization by a δ-potential in an embedded magnetic-electric-barrier microstructure (EMEBM), which can be fabricated experimentally by patterning a ferromagnetic (FM) stripe and a Schottky-metal (SM) stripe on top and bottom of GaAs/AlxGa1_xAs heterostructure, respectively. Due to spin-orbit coupling (SOC) an appreciable electron-spin polarization effect still remains, even through a δ-potential is contained. Besides, electron-spin polarization ratio can be controlled by δ-potential, which may result in a structurally-manipulable elect

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Wang, Xiaotian, Gaungqian Ding, Zhenxiang Cheng, Xiao-Lin Wang, Gang Zhang, and Tie Yang. "Intersecting nodal rings in orthorhombic-type BaLi2Sn compound." Journal of Materials Chemistry C 8, no. 16 (2020): 5461–66. http://dx.doi.org/10.1039/d0tc00504e.

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In this study, via first-principles, we predict that a recently synthesized BaLi<sub>2</sub>Sn material with Pmmn structure is a TNLS with perfect intersecting nodal rings in the k<sub>x</sub> = 0 and k<sub>y</sub> = 0 planes when the spin–orbit coupling (SOC) effect is ignored.

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Sharma, Vinay, Prabesh Bajracharya, Anthony Johnson, and Ramesh C. Budhani. "Interface-driven spin pumping and inverse Rashba-Edelstein effect in FeGaB/Ag/BiSb multilayers." AIP Advances 12, no. 3 (2022): 035028. http://dx.doi.org/10.1063/9.0000311.

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Spin-orbit-coupling (SOC) plays a critical role in spin-to-charge conversion (SCC) mechanism. The SCC process is usually investigated by injecting a spin current from ferromagnet (FM) into a large SOC normal metal (SOC-NM) and then measuring the voltage generated by inverse spin Hall effect (ISHE). Recently, a new mechanism of SCC at inversion symmetry breaking interfaces between topological insulators (TIs) and magnetically ordered materials has been introduced, which is driven by the inverse Rashba-Edelstein effect (IREE). Motivated by this result, we have investigated the IREE effect of a s

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Lin, Jiang-Xiazi, Ya-Hui Zhang, Erin Morissette, et al. "Spin-orbit–driven ferromagnetism at half moiré filling in magic-angle twisted bilayer graphene." Science 375, no. 6579 (2022): 437–41. http://dx.doi.org/10.1126/science.abh2889.

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Strong electron correlation and spin-orbit coupling (SOC) can have a profound influence on the electronic properties of materials. We examined their combined influence on a two-dimensional electronic system at the atomic interface between magic-angle twisted bilayer graphene and a tungsten diselenide crystal. We found that strong electron correlation within the moiré flatband stabilizes correlated insulating states at both quarter and half filling, and that SOC transforms these Mott-like insulators into ferromagnets, as evidenced by a robust anomalous Hall effect with hysteretic switching beha

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Wang, Kewei, Hui Jin, Yunbin Lei, Yuan Zhao, Kaiyu Huang, and Siliu Xu. "Two-Dimensional Solitons in Bose–Einstein Condensates with Spin–Orbit Coupling and Rydberg–Rydberg Interaction." Photonics 9, no. 5 (2022): 283. http://dx.doi.org/10.3390/photonics9050283.

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Applying an imaginary time evolution method (AITEM) to the system of Gross–Pitaevskii equations, we find two-dimensional stable solitons in binary atomic Bose–Einstein condensates with spin–orbit coupling (SOC) and the Rydberg–Rydberg interaction (RRI). The stability of 2D solitons by utilizing their norm and energy is discussed in detail. Depending on the SOC and Rydberg–Rydberg interaction, we find stable zero-vorticity and vortical solitons. Furthermore, we show that the solitons can be effectively tuned by the local and nonlocal nonlinearities of this system.

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