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Journal articles on the topic 'Non Equilibrium Green's Function'

Author: Grafiati
Published: 4 June 2021
Last updated: 10 March 2023

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1

Stefanucci, Gianluca, Andrea Marini, and Stefano Bellucci. "Non‐Equilibrium Green's Functions." physica status solidi (b) 256, no. 7 (July 2019): 1900335. http://dx.doi.org/10.1002/pssb.201900335.

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2

Winge, David O., Martin Franckié, Claudio Verdozzi, Andreas Wacker, and Mauro F. Pereira. "Simple electron-electron scattering in non-equilibrium Green's function simulations." Journal of Physics: Conference Series 696 (March 2016): 012013. http://dx.doi.org/10.1088/1742-6596/696/1/012013.

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3

Takeda, Hiroshi, and Nobuya Mori. "Mode-Coupling Effects in Non-Equilibrium Green's Function Device Simulation." Japanese Journal of Applied Physics 44, no. 4B (April 21, 2005): 2664–68. http://dx.doi.org/10.1143/jjap.44.2664.

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4

YAMAMOTO, Kouhei, Hiroyuki ISHII, Kenji HIROSE, and Nobuhiko KOBAYASHI. "Thermal Conduction Calculation of Nanowire by Non-equilibrium Green's Function." Hyomen Kagaku 32, no. 7 (2011): 410–15. http://dx.doi.org/10.1380/jsssj.32.410.

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5

Koshelkin, A. V. "Two-particle Green's functions in non-equilibrium matter." Physics Letters B 471, no. 2-3 (December 1999): 202–7. http://dx.doi.org/10.1016/s0370-2693(99)01373-8.

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6

Koshelkin, A. V. "Two-particle Green's functions in non-equilibrium matter." Czechoslovak Journal of Physics 50, S2 (February 2000): 120–25. http://dx.doi.org/10.1007/s10582-000-0036-7.

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7

Camsari, Kerem Y., Samiran Ganguly, Deepanjan Datta, and Supriyo Datta. "Non-Equilibrium Green's Function Based Circuit Models for Coherent Spin Devices." IEEE Transactions on Nanotechnology 18 (2019): 858–65. http://dx.doi.org/10.1109/tnano.2018.2889443.

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8

Zhao, Renqiang, Yao Luo, Fan Jiang, Yuxin Dai, Zengying Ma, Junwen Zhong, Peng Wu, Tao Zhou, and Yucheng Huang. "Ultrahigh-stability SnOX (X = S, Se) nanotubes with a built-in electric field as a highly promising platform for sensing NH3, NO and NO2: a theoretical investigation." Journal of Materials Chemistry A 10, no. 14 (2022): 7948–59. http://dx.doi.org/10.1039/d2ta00463a.

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Combining density functional theory calculations with non-equilibrium Green's-function-based simulations, we systematically investigated the sensing performance of novel ultrahigh-stability SnOX (X = S, Se) nanotubes toward NH3, NO, and NO2.
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9

He, Yu, Yu Wang, Gerhard Klimeck, and Tillmann Kubis. "Non-equilibrium Green's functions method: Non-trivial and disordered leads." Applied Physics Letters 105, no. 21 (November 24, 2014): 213502. http://dx.doi.org/10.1063/1.4902504.

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10

Subhan, Fazle, M. Umar Farooq, and Jisang Hong. "Bias-dependent transport properties of passivated tilted black phosphorene nanoribbons." Physical Chemistry Chemical Physics 20, no. 16 (2018): 11021–27. http://dx.doi.org/10.1039/c8cp00090e.

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11

Špička, Václav, Bedřich Velický, and Anděla Kalvová. "Electron systems out of equilibrium: Nonequilibrium Green's function approach." International Journal of Modern Physics B 28, no. 23 (July 13, 2014): 1430013. http://dx.doi.org/10.1142/s0217979214300138.

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This review deals with the state of the art and perspectives of description of nonequilibrium many-body systems using the nonequilibrium Green's function (NGF) method. The basic aim is to describe time evolution of the many-body system from its initial state over its transient dynamics to its long time asymptotic evolution. First, we discuss basic aims of transport theories to motivate the introduction of the NGF techniques. Second, this article summarizes the present view on construction of the electron transport equations formulated within the NGF approach to nonequilibrium. We discuss incorporation of complex initial conditions to the NGF formalism, and the NGF reconstruction theorem, which serves as a tool to derive simplified kinetic equations. Three stages of evolution of the nonequilibrium, the first described by the full NGF description, the second by a non-Markovian generalized master equation and the third by a Markovian master equation will be related to each other.
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12

Liu, Chenhan, Qiang Fu, Zhongzhu Gu, and Ping Lu. "The reservoir area dependent thermal transport at the nanoscale interface." Physical Chemistry Chemical Physics 22, no. 38 (2020): 22016–22. http://dx.doi.org/10.1039/d0cp04001k.

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13

Zhai, Ming-Xing, Xue-Feng Wang, P. Vasilopoulos, Yu-Shen Liu, Yao-Jun Dong, Liping Zhou, Yong-Jing Jiang, and Wen-Long You. "Giant magnetoresistance and spin Seebeck coefficient in zigzag α-graphyne nanoribbons." Nanoscale 6, no. 19 (2014): 11121–29. http://dx.doi.org/10.1039/c4nr02426e.

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We investigate the spin-dependent electric and thermoelectric properties of ferromagnetic zigzag α-graphyne nanoribbons (ZαGNRs) using density-functional theory combined with non-equilibrium Green's function method.
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14

Liu, Qing-Bo, Dan-Dan Wu, and Hua-Hua Fu. "Edge-defect induced spin-dependent Seebeck effect and spin figure of merit in graphene nanoribbons." Phys. Chem. Chem. Phys. 19, no. 39 (2017): 27132–39. http://dx.doi.org/10.1039/c7cp05621d.

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By using first-principle calculations combined with the non-equilibrium Green's function approach, we have studied spin caloritronic properties of graphene nanoribbons (GNRs) with different edge defects.
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15

Lipavský, Pavel. "Green's function approach to the non-equilibrium superconductivity near the critical line." Journal of Physics: Conference Series 696 (March 2016): 012015. http://dx.doi.org/10.1088/1742-6596/696/1/012015.

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16

Zhou, Song, Jianfei Jiang, and Qiyu Cai. "Small-signal ac response: a self-consistent non-equilibrium Green's function approach." Journal of Physics D: Applied Physics 38, no. 2 (January 7, 2005): 255–59. http://dx.doi.org/10.1088/0022-3727/38/2/009.

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17

Franckié, M., L. Bosco, M. Beck, C. Bonzon, E. Mavrona, G. Scalari, A. Wacker, and J. Faist. "Two-well quantum cascade laser optimization by non-equilibrium Green's function modelling." Applied Physics Letters 112, no. 2 (January 8, 2018): 021104. http://dx.doi.org/10.1063/1.5004640.

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18

Chu, H. Y., Z. Ye, F. C. Khanna, and H. Umezawa. "Dissipative Two-State System at Non-Equilibrium: Real Time Green's Function Approach." physica status solidi (b) 199, no. 1 (January 1997): 143–55. http://dx.doi.org/10.1002/1521-3951(199701)199:1<143::aid-pssb143>3.0.co;2-j.

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19

Špička, V., A. Kalvová, and B. Velický. "Dynamics of mesoscopic systems: Non-equilibrium Green's functions approach." Physica E: Low-dimensional Systems and Nanostructures 42, no. 3 (January 2010): 525–38. http://dx.doi.org/10.1016/j.physe.2009.08.008.

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20

Zou, Fei, Lin Zhu, Gaoying Gao, Menghao Wu, and Kailun Yao. "Temperature-controlled spin filter and spin valve based on Fe-doped monolayer MoS2." Physical Chemistry Chemical Physics 18, no. 8 (2016): 6053–58. http://dx.doi.org/10.1039/c5cp05001d.

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The thermal transport properties of an iron-doped molybdenum disulfide system were explored theoretically using the density functional theory calculations combined with the Keldysh non-equilibrium Green's function approach.
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21

Zhang, Tian, Yan Cheng, and Xiang-Rong Chen. "Ab initio calculations of quantum transport of Au–GaN–Au nanoscale junctions." RSC Adv. 4, no. 94 (2014): 51838–44. http://dx.doi.org/10.1039/c4ra09132a.

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We investigate the contact geometry and electronic transport properties of a GaN pair sandwiched between Au electrodes by performing density functional theory plus the non-equilibrium Green's function method.
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22

Sánchez-Ochoa, F., Jie Zhang, Yueyao Du, Zhiwei Huang, G. Canto, Michael Springborg, and Gregorio H. Cocoletzi. "Ultranarrow heterojunctions of armchair-graphene nanoribbons as resonant-tunnelling devices." Physical Chemistry Chemical Physics 21, no. 45 (2019): 24867–75. http://dx.doi.org/10.1039/c9cp04368c.

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Armchair-graphene nanoribbons heterojunctions are revealed as extremely narrow resonant-tunnelling devices. This is supported by spin-polarized density functional theory calculations combined with the non-equilibrium Green's function formalism.
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23

Xie, Fang, Zhi-Qiang Fan, Xiao-Jiao Zhang, Jian-Ping Liu, Hai-Yan Wang, and Meng-Qiu Long. "Tunable negative differential resistance in a single cruciform diamine molecule with zigzag graphene nanoribbon electrodes." RSC Advances 6, no. 88 (2016): 84978–84. http://dx.doi.org/10.1039/c6ra19001d.

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We investigate the electronic transport properties of a single cruciform diamine molecule connected to zigzag graphene nanoribbon electrodes by using the non-equilibrium Green's function formalism with density functional theory.
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24

Yang, Haiying, Yunqing Tang, and Ping Yang. "Factors influencing thermal transport across graphene/metal interfaces with van der Waals interactions." Nanoscale 11, no. 30 (2019): 14155–63. http://dx.doi.org/10.1039/c9nr03538a.

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We implement non-equilibrium Green's function (NEGF) calculations to investigate thermal transport across graphene/metal interfaces with interlayer van der Waals interactions to understand the factors influencing thermal conductance across the interface.
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25

Zhang, Dan, Mengqiu Long, Xiaojiao Zhang, Jun Ouyang, Hui Xu, and KowkSum Chan. "Spin-resolved transport properties in zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations." RSC Advances 6, no. 18 (2016): 15008–15. http://dx.doi.org/10.1039/c5ra26007h.

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Using the non-equilibrium Green's function method and spin-polarized density functional theory, we investigate the stability and spin-resolved transport properties of zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations.
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26

Sun, L., Z. H. Zhang, H. Wang, and M. Li. "Electronic and transport properties of zigzag phosphorene nanoribbons with nonmetallic atom terminations." RSC Advances 10, no. 3 (2020): 1400–1409. http://dx.doi.org/10.1039/c9ra06360a.

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Using the first-principles method based on density-functional theory and non-equilibrium Green's function, the electronic properties of zigzag ZPNRs terminated with NM atoms, as well as a pristine case, were studied systematically.
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27

Souza, A. M., I. Rungger, U. Schwingenschlögl, and S. Sanvito. "The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach." Nanoscale 7, no. 45 (2015): 19231–40. http://dx.doi.org/10.1039/c5nr04245c.

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We present a combination of density functional theory and of both non-equilibrium Green's function formalism and a Master equation approach to accurately describe quantum transport in molecular junctions in the Coulomb blockade regime.
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28

Mu, Yi, Zhao-Yi Zeng, Yan Cheng, and Xiang-Rong Chen. "Electronic transport properties of silicon carbide molecular junctions: first-principles study." RSC Advances 6, no. 94 (2016): 91453–62. http://dx.doi.org/10.1039/c6ra11028b.

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The contact geometry and electronic transport properties of a silicon carbide (SiC) molecule coupled with Au (1 0 0) electrodes are investigated by performing density functional theory plus the non-equilibrium Green's function method.
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29

Zhang, Wenfei, Guang-Ping Zhang, Zong-Liang Li, Xiao-Xiao Fu, Chuan-Kui Wang, and Minglang Wang. "Design of multifunctional spin logic gates based on manganese porphyrin molecules connected to graphene electrodes." Physical Chemistry Chemical Physics 24, no. 3 (2022): 1849–59. http://dx.doi.org/10.1039/d1cp04861a.

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A multifarious molecular spin logic device composed of two Mn porphyrin molecules connected to each other via a six-carbon atomic chain was designed using the non-equilibrium Green's function combined with density functional theory.
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30

Tawfik, Sherif Abdulkader, X. Y. Cui, S. P. Ringer, and C. Stampfl. "Endohedral metallofullerenes, M@C60 (M = Ca, Na, Sr): selective adsorption and sensing of open-shell NOx gases." Physical Chemistry Chemical Physics 18, no. 31 (2016): 21315–21. http://dx.doi.org/10.1039/c6cp02249a.

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Based on density-functional theory and non-equilibrium Green's function calculations, we demonstrate that endohedral metallofullerenes (EMFs) are reactive to open-shell gases, and therefore have the potential application as selective open-shell gas sensors.
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31

Qu, Hengze, Shiying Guo, Wenhan Zhou, Bo Cai, Shengli Zhang, Yaxin Huang, Zhi Li, Xianping Chen, and Haibo Zeng. "Electronic structure and transport properties of 2D RhTeCl: a NEGF-DFT study." Nanoscale 11, no. 43 (2019): 20461–66. http://dx.doi.org/10.1039/c9nr07684k.

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Predicted through the density functional theory coupled with non-equilibrium Green's function method, 2D RhTeCl with promising electronic properties and device performances has the scope of becoming a potential candidate for the future low power devices.
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32

Li, Longhua, Jianli Mi, Yangchun Yong, Baodong Mao, and Weidong Shi. "First-principles study on the lattice plane and termination dependence of the electronic properties of the NiO/CH3NH3PbI3 interfaces." Journal of Materials Chemistry C 6, no. 30 (2018): 8226–33. http://dx.doi.org/10.1039/c8tc01974f.

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Density functional theory (DFT) and non-equilibrium Green's function (NEGF) calculations give an insight at an atomistic level into the structure–property relationship of the nickel oxide/organometal halide perovskite (NiO/MAPbI3) interface.
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33

Chu, Yuanchen, Jingjing Shi, Kai Miao, Yang Zhong, Prasad Sarangapani, Timothy S. Fisher, Gerhard Klimeck, Xiulin Ruan, and Tillmann Kubis. "Thermal boundary resistance predictions with non-equilibrium Green's function and molecular dynamics simulations." Applied Physics Letters 115, no. 23 (December 2, 2019): 231601. http://dx.doi.org/10.1063/1.5125037.

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34

Michael, Fredrick, and M. D. Johnson. "Replacing leads by self-energies using non-equilibrium Green's functions." Physica B: Condensed Matter 339, no. 1 (November 2003): 31–38. http://dx.doi.org/10.1016/s0921-4526(03)00447-2.

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35

Peng, G. W., L. Zhu, and K. L. Yao. "Negative differential resistance and spin filter effects in VS2 monolayers." RSC Advances 7, no. 54 (2017): 33733–36. http://dx.doi.org/10.1039/c7ra03908e.

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We have calculated the spin current based on the bias voltage, band structure and transmission spectrum for VS2 monolayers along the zigzag and armchair orientations by first-principles calculations combined with the non-equilibrium Green's function method.
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36

Zou, Dongqing, Bin Cui, Xiangru Kong, Wenkai Zhao, Jingfen Zhao, and Desheng Liu. "Spin transport properties in lower n-acene–graphene nanojunctions." Physical Chemistry Chemical Physics 17, no. 17 (2015): 11292–300. http://dx.doi.org/10.1039/c5cp00544b.

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A series of n-acene–graphene (n = 3, 4, 5, 6) devices, in which n-acene molecules are sandwiched between two zigzag graphene nanoribbon (ZGNR) electrodes, are modeled through the spin polarized density functional theory combined with the non-equilibrium Green's function technique.
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37

Rojas, W. Y., Cesar E. P. Villegas, and A. R. Rocha. "Spin–orbit coupling prevents spin channel suppression of transition metal atoms on armchair graphene nanoribbons." Physical Chemistry Chemical Physics 20, no. 47 (2018): 29826–32. http://dx.doi.org/10.1039/c8cp05337e.

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We investigate the spin-dependent electronic and transport properties of armchair graphene nanoribbons including spin–orbit coupling due to the presence of nickel and iridium adatoms by using ab initio calculations within the spin-polarized density functional theory and non-equilibrium Green's function formalism.
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38

Lu, Juan, Zhi-Qiang Fan, Jian Gong, Jie-Zhi Chen, Huhe ManduLa, Yan-Yang Zhang, Shen-Yuan Yang, and Xiang-Wei Jiang. "Enhancement of tunneling current in phosphorene tunnel field effect transistors by surface defects." Physical Chemistry Chemical Physics 20, no. 8 (2018): 5699–707. http://dx.doi.org/10.1039/c7cp08678d.

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The effects of the staggered double vacancies, hydrogen (H), 3d transition metals, for example cobalt, and semiconductor covalent atoms, for example, germanium, nitrogen, phosphorus (P) and silicon adsorption on the transport properties of monolayer phosphorene were studied using density functional theory and non-equilibrium Green's function formalism.
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39

Wang, Rui-Ning, Guo-Yi Dong, Shu-Fang Wang, Guang-Sheng Fu, and Jiang-Long Wang. "Thermoelectric properties of fullerene-based junctions: a first-principles study." Physical Chemistry Chemical Physics 18, no. 40 (2016): 28117–24. http://dx.doi.org/10.1039/c6cp04339a.

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This study is built on density functional calculations in combination with the non-equilibrium Green's function, and we probe the thermoelectric transport mechanisms through C60molecules anchored to Al nano-electrodes in three different ways, such as, the planar, pyramidal, and asymmetric surfaces.
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40

Shin, Mincheol. "Non-Equilibrium Green's Function Approach to Three-Dimensional Carbon Nanotube Field Effect Transistor Simulations." Journal of the Korean Physical Society 52, no. 9(4) (April 15, 2008): 1287–91. http://dx.doi.org/10.3938/jkps.52.1287.

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41

Haroon and M. A. H. Ahsan. "Electron Transport in T-Shaped Double Quantum Dot System Using Non-Equilibrium Green's Function." Advanced Science Letters 20, no. 7 (July 1, 2014): 1281–86. http://dx.doi.org/10.1166/asl.2014.5528.

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42

Yamamoto, Takahiro, Kenji Sasaoka, and Satoshi Watanabe. "AC Power Consumption of Single-Walled Carbon Nanotube Interconnects: Non-Equilibrium Green's Function Simulation." Japanese Journal of Applied Physics 51, no. 4R (April 1, 2012): 045104. http://dx.doi.org/10.7567/jjap.51.045104.

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43

Yamamoto, Takahiro, Kenji Sasaoka, and Satoshi Watanabe. "AC Power Consumption of Single-Walled Carbon Nanotube Interconnects: Non-Equilibrium Green's Function Simulation." Japanese Journal of Applied Physics 51 (March 30, 2012): 045104. http://dx.doi.org/10.1143/jjap.51.045104.

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44

FITRIAWAN, H., M. OGAWA, S. SOUMA, and T. MIYOSHI. "Fullband Simulation of Nano-Scale MOSFETs Based on a Non-equilibrium Green's Function Method." IEICE Transactions on Electronics E91-C, no. 1 (January 1, 2008): 105–9. http://dx.doi.org/10.1093/ietele/e91-c.1.105.

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45

Sarvari, H., R. Ghayour, and E. Dastjerdy. "Frequency analysis of graphene nanoribbon FET by Non-Equilibrium Green's Function in mode space." Physica E: Low-dimensional Systems and Nanostructures 43, no. 8 (June 2011): 1509–13. http://dx.doi.org/10.1016/j.physe.2011.04.018.

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46

Sun, Cuicui, Guiling Zhang, Yan Shang, Zhao-Di Yang, and Xiaojun Sun. "Electronic and transport properties of PSi@MoS2 nanocables." Physical Chemistry Chemical Physics 18, no. 6 (2016): 4333–44. http://dx.doi.org/10.1039/c5cp05694b.

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Electronic structures and transport properties of prototype MoS2 nanotube (15, 0) nanocables, including undoped PSi@MoS2 and B- and P-doped PSi@MoS2 (where PSi refers to polysilane), are investigated using the density functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods.
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47

Zou, Dongqing, Wenkai Zhao, Bin Cui, Dongmei Li, and Desheng Liu. "Adsorption of gas molecules on a manganese phthalocyanine molecular device and its possibility as a gas sensor." Physical Chemistry Chemical Physics 20, no. 3 (2018): 2048–56. http://dx.doi.org/10.1039/c7cp06760g.

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A theoretical investigation of the gas detection performance of manganese(ii) phthalocyanine (MnPc) molecular junctions for six different gases (NO, CO, O2, CO2, NO2, and NH3) is executed through a non-equilibrium Green's function technique in combination with spin density functional theory.
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48

Vogl, P., and T. Kubis. "The non-equilibrium Green’s function method: an introduction." Journal of Computational Electronics 9, no. 3-4 (September 28, 2010): 237–42. http://dx.doi.org/10.1007/s10825-010-0313-z.

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49

Liang, Xiu Yan, Guiling Zhang, Peng Sun, Yan Shang, Zhao-Di Yang, and Xiao Cheng Zeng. "The electronic and transport properties of (VBz)n@CNT and (VBz)n@BNNT nanocables." Journal of Materials Chemistry C 3, no. 16 (2015): 4039–49. http://dx.doi.org/10.1039/c5tc00332f.

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The electronic structures and transport properties of prototype carbon nanotube (CNT) (10,10) and boron–nitride nanotube (BNNT) (10,10) nanocables, including (VBz)n@CNT and (VBz)n@BNNT (where Bz = C6H6), are investigated using the density functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods.
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50

Choi, J. H., M. Pala, L. Latu-Romain, and Edwige Bano. "Theoretical Study of Thermoelectric Properties of SiC Nanowires." Materials Science Forum 717-720 (May 2012): 561–64. http://dx.doi.org/10.4028/www.scientific.net/msf.717-720.561.

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We present, for the first time, simulations of thermoelectric properties of silicon carbide (SiC) nanowires as a function of the wire cross section at high temperature (500K), based on non-equilibrium classical molecular dynamics simulations for the lattice thermal transport and non-equilibrium green's function for the electrical transport. Our calculations show that figure of merit (ZT) was increasing with decreasing cross section area: ZT of SiC nanowire at 2x2 nm2 has maximum value in the range of 0.65 - 0.89 at 500K, which is 7 - 8 times larger than maximum ZT of SiC thin film value (0.125 at 973 K). These results show that SiC may be a promising material for thermoelectric applications operating at high temperature.
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