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1

Ishfaq, M., A. Aziz, S. A. Aldaghfag, S. Noreen, M. Zahid, and M. Yaseen. "A first-principles investigation of Ba2CaTeO6 and Ba2CaWO6 compounds for thermoelectric and optoelectronic applications." Chalcogenide Letters 21, no. 8 (2024): 615–29. http://dx.doi.org/10.15251/cl.2024.218.615.

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Herein, structural, optoelectronic, and thermoelectric characteristics of Ba2CaTeO6 and Ba2CaWO6 oxides double perovskite have been evaluated by first-principles calculations. Enthalpy of formation and tolerance factor are computed to ensure the respective structural and thermodynamical stability. Ba2CaTeO6 and Ba2CaWO6 have mBJ computed bandgaps of 5.87 eV and 4.20 eV, respectively. Furthermore, the optical parameters like dielectric constants (ԑ1(ω) & ԑ2(ω)) and other related parameters are computed. The thermoelectric (TE) parameters were examined using the BoltzTraP package. The ZT val
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2

Trivedi, Mahendra Kumar, Rama Mohan Tallapragada, Alice Branton, et al. "Evaluation of Physical and Structural Properties of Biofield Energy Treated Barium Calcium Tungsten Oxide." Advances in Materials 4, no. 6 (2015): 95–100. https://doi.org/10.11648/j.am.20150406.11.

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Barium calcium tungsten oxide (Ba2CaWO6) is known for its double perovskite-type crystal structure. The present study was designed to see the effect of biofield energy treatment on physical, atomic, and structural properties of Ba2CaWO6. In this study, Ba2CaWO6 powder sample was divided into two parts, one part was remained as untreated, denoted as control, while the other part was subjected to Mr. Trivedi’s biofield energy treatment and coded as treated. After that, the control and treated samples were analyzed using X-ray diffraction (XRD), surface area analyzer, Fourier transform infr
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3

Trivedi, Mahendra Kumar, Rama Mohan Tallapragada, Alice Branton, et al. "Evaluation of Physical and Structural Properties of Biofield Energy Treated Barium Calcium Tungsten Oxide." Advances in Materials 4, no. 6 (2015): 95–100. https://doi.org/10.5281/zenodo.192202.

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Barium calcium tungsten oxide (Ba2CaWO6) is known for its double perovskite-type crystal structure. The present study was designed to see the effect of biofield energy treatment on physical, atomic, and structural properties of Ba2CaWO6. In this study, Ba2CaWO6 powder sample was divided into two parts, one part was remained as untreated, denoted as control, while the other part was subjected to Mr. Trivedi’s biofield energy treatment and coded as treated. After that, the control and treated samples were analyzed using X-ray diffraction (XRD), surface area analyzer, Fourier transform
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4

Riedel, M., H. Düsterhöft, and F. Nagel. "Investigation of tungsten cathodes activated with Ba2CaWO6." Vacuum 61, no. 2-4 (2001): 169–73. http://dx.doi.org/10.1016/s0042-207x(01)00112-9.

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5

Yin, Xueai, Weiwei Feng, and Xin Zhang. "Synthesis of Rare Earth Doped with Tungstate and Phosphate Luminescent Materials and Its Adoption in Light-Emitting Diode." Journal of Nanoelectronics and Optoelectronics 15, no. 5 (2020): 654–62. http://dx.doi.org/10.1166/jno.2020.2784.

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This research focuses on the fluorescent powder materials based on a single matrix of this type of LED. Taking Ba2CaWO6 as an example, mixing Dy3+ alone can produce blue and white light at 318nm UV excitation. At the same time, mixing Dy3+ with Eu3+ can make the fluorescent powders realize the emission of 491 nm/577 nm of Dy3+ and 588 nm of Eu3+. Dy3+ is set to 0.06 and the ratio of Eu3+ is adjusted to make the luminous color gradually close to white. In the study of Ba3Y(PO4)3 · xDy3+ · yEu3+, x is set as 0.07, and the content of y is set as 0.01∼0.08. Dy3+ alone will emit blue and white ligh
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6

Yu, Ruijin, Dong Soo Shin, Kiwan Jang, et al. "Luminescence and thermal-quenching properties of Dy3+-doped Ba2CaWO6 phosphors." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 125 (May 2014): 458–62. http://dx.doi.org/10.1016/j.saa.2014.01.131.

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7

Animitsa, I. E., N. A. Kochetova, T. A. Denisova, N. A. Zhuravlev, and I. V. Baklanova. "Hydration and proton transport in solid solutions based on Ba2CaWO6." Russian Journal of Physical Chemistry A 83, no. 2 (2009): 197–202. http://dx.doi.org/10.1134/s0036024409020095.

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8

Sreeja, E., Subash Gopi, T. Krishnapriya, N. V. Unnikrishnan, Cyriac Joseph, and P. R. Biju. "Photoluminescent enhancement by the incorporation of Bi3+ in Ba2CaWO6: Eu3+ phosphors." Journal of Materials Science: Materials in Electronics 33, no. 4 (2021): 1851–63. http://dx.doi.org/10.1007/s10854-021-07384-2.

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9

Popovič, Arkadij, Laszlo Bencze, Jože Marsel, Antonija Lesar, K. Vass-Balthazar, and O. Kaposi. "Mass spectrometric investigation of the evaporation properties of Ba2CaWO6 and Ba2SrWO6." Rapid Communications in Mass Spectrometry 7, no. 6 (1993): 416–20. http://dx.doi.org/10.1002/rcm.1290070603.

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10

Sreeja, E., Adon Jose, Anns George, N. V. Unnikrishnan, Cyriac Joseph, and P. R. Biju. "Upconversion photoluminescence and radiative properties of Ba2CaWO6: Er3+ phosphors for photonic applications." Infrared Physics & Technology 123 (June 2022): 104184. http://dx.doi.org/10.1016/j.infrared.2022.104184.

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11

Sreeja, E., Adon Jose, Anns George, N. V. Unnikrishnan, Cyriac Joseph, and P. R. Biju. "Upconversion photoluminescence and radiative properties of Ba2CaWO6: Er3+ phosphors for photonic applications." Infrared Physics & Technology 123 (June 2022): 104184. http://dx.doi.org/10.1016/j.infrared.2022.104184.

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12

Sreeja, E., Subash Gopi, Viji Vidyadharan, et al. "Luminescence properties and charge transfer mechanism of host sensitized Ba2CaWO6:Eu3+ phosphor." Powder Technology 323 (January 2018): 445–53. http://dx.doi.org/10.1016/j.powtec.2017.09.036.

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13

Yu, Ruijin, Hyeon Mi Noh, Byung Kee Moon, et al. "Photoluminescence characteristics of Sm3+-doped Ba2CaWO6 as new orange–red emitting phosphors." Journal of Luminescence 152 (August 2014): 133–37. http://dx.doi.org/10.1016/j.jlumin.2014.01.074.

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14

Sreeja, E., Remya Mohan P, Subash Gopi, Cyriac Joseph, N. V. Unnikrishnan, and P. R. Biju. "Structural and photoluminescence properties of UV-excited Er3+ doped Ba2CaWO6 yellowish-green phosphors." Physica B: Condensed Matter 555 (February 2019): 74–80. http://dx.doi.org/10.1016/j.physb.2018.11.020.

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15

Sreeja, E., Viji Vidyadharan, Saritha K. Jose, et al. "A single-phase white light emitting Pr3+ doped Ba2CaWO6 phosphor: synthesis, photoluminescence and optical properties." Optical Materials 78 (April 2018): 52–62. http://dx.doi.org/10.1016/j.optmat.2018.02.003.

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16

Xie, Jialiang, Lei Zhong, Sha Jiang, et al. "High sensitive optical thermometry based on redshift of charge transfer band in Ba2CaWO6:Eu3+ phosphors." Materials Research Express 11, no. 1 (2024): 010201. http://dx.doi.org/10.1088/2053-1591/ad1d88.

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Abstract Optical thermometry has emerged as a promising technology to overcome the limitations of traditional thermometry techniques. Herein, we report an Eu3+-activated tungstate Ba2CaWO6 phosphors for luminescent thermometry with a maximum relative sensitivity of 4.84% based on a single-band ratiometric technique. By monitoring the 5D0 → 7F1 (595 nm) emission of Eu3+, excitation spectrum of the as-prepared sample was measured, showing a dominant broad band ranging from 240 to 345 nm corresponding to the O2−-W6+ charge transfer band (CTB). The intensity of CTB gradually decreases and the CTB
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17

Wang, Zhiliang, Xu Chen, Man Luo, and Lin Qin. "The optical properties of Mn4+ ions in Ba2CaWO6 with double perovskite structure for optical thermometer application." Materials Research Bulletin 156 (December 2022): 112004. http://dx.doi.org/10.1016/j.materresbull.2022.112004.

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18

Sun, Xiaoyuan, Zhendong Hao, Chunjie Li, et al. "Enhanced orange-red emission by using Mo codoped in Ba2CaWO6: Eu3+, Li+ phosphor under near UV excitation." Journal of Luminescence 134 (February 2013): 191–94. http://dx.doi.org/10.1016/j.jlumin.2012.08.049.

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19

Zhao, Sanni, Jinmeng Xiang, Mu-Huai Fang, Changheng Chen, Minkun Jin, and Niumiao Zhang. "A novel high thermal stability Ba2CaWO6: Mn4+ far-red emitting phosphor with a double-perovskite structure for plant growth LEDs." Optical Materials 124 (February 2022): 112052. http://dx.doi.org/10.1016/j.optmat.2022.112052.

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20

Mirinioui, F., Bouchaib Manoun, Y. Tamraoui, and P. Lazor. "Sequence of phase transitions induced by chemical composition and high temperature in [Ba2CaWO6](1−x)[Sr2CaWO6]x double perovskite tungsten oxides." Journal of Solid State Chemistry 232 (December 2015): 182–92. http://dx.doi.org/10.1016/j.jssc.2015.09.021.

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21

Singh, Vijeta, and J. J. Pulikkotil. "Double perovskite Ba2CaIrO6: A Slater-type antiferromagnet system." Journal of Magnetism and Magnetic Materials 475 (April 2019): 550–53. http://dx.doi.org/10.1016/j.jmmm.2018.10.139.

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22

Nguyen, Loi T., Robert J. Cava, and Allyson M. Fry-Petit. "Low temperature structural phase transition in the Ba2CaMoO6 perovskite." Journal of Solid State Chemistry 277 (September 2019): 415–21. http://dx.doi.org/10.1016/j.jssc.2019.06.037.

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23

Demazeau, Gérard, Duk-Young Jung, Jean-Pierre Sanchez, Eric Colineau, Alain Blaise, and Léopold Fournes. "Iridium(VI) stabilized in a perovskite-type lattice: Ba2CalrO6." Solid State Communications 85, no. 6 (1993): 479–84. http://dx.doi.org/10.1016/0038-1098(93)90004-7.

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24

Yamamura, Kazuhiro, Makoto Wakeshima, and Yukio Hinatsu. "Structural phase transition and magnetic properties of double perovskites Ba2CaMO6 (M=W, Re, Os)." Journal of Solid State Chemistry 179, no. 3 (2006): 605–12. http://dx.doi.org/10.1016/j.jssc.2005.10.003.

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25

Cucolo, A. M., and P. Prieto. "A Comparative Study of Different Tunnel Barriers for C-Axis Oriented Y(Ho)Ba2Cu3O7 Based Trilayer Structures." International Journal of Modern Physics B 11, no. 32 (1997): 3833–47. http://dx.doi.org/10.1142/s0217979297001969.

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We report on the structural and electrical characterization of c-axis oriented Y(Ho)Ba2Ca3O7 -based trilayer structures with different insulating layers. A comparative study of Y2O3 , SrTiO3 and PrBa2Cu3O7 barriers is carried out. Structural characterization demonstrates the epitaxial growth of the heterostructures with sharp interfaces between the different layers. Resistivity and ac susceptibility dependences on temperature indicate no degradation of the superconducting properties of the bottom and top electrodes. Josephson effect and quasi-particle tunneling are observed in the YBa2Cu3O7/Y2
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26

Li, Yuntong, and Xiaohua Liu. "Energy transfer and luminescence properties of Ba2CaMoO6:Eu3+ phosphors prepared by sol–gel method." Optical Materials 42 (April 2015): 303–8. http://dx.doi.org/10.1016/j.optmat.2015.01.018.

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27

Sletnes, M., S. L. Skjærvø, M. Lindgren, T. Grande, and M. A. Einarsrud. "Luminescent Eu3+-doped NaLa(WO4)(MoO4) and Ba2CaMoO6 prepared by the modified Pechini method." Journal of Sol-Gel Science and Technology 77, no. 1 (2015): 136–44. http://dx.doi.org/10.1007/s10971-015-3837-7.

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28

Thompson, C. M., J. P. Carlo, R. Flacau, et al. "Long-range magnetic order in the 5d2double perovskite Ba2CaOsO6: comparison with spin-disordered Ba2YReO6." Journal of Physics: Condensed Matter 26, no. 30 (2014): 306003. http://dx.doi.org/10.1088/0953-8984/26/30/306003.

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29

Das, Subhendu, Manish Debbarma, Debankita Ghosh, et al. "First-principles calculations to investigate structural, mechanical, electronic, magnetic and thermoelectric properties of Ba2CaMO6 (M=Re, Os) cubic double perovskites." Physica B: Condensed Matter 626 (February 2022): 413554. http://dx.doi.org/10.1016/j.physb.2021.413554.

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30

Reynolds, Emily, and Brendan Kennedy. "Investigation of thermally induced phase transitions in uranium perovskites." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C71. http://dx.doi.org/10.1107/s2053273314099288.

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The physical properties of inorganic solids are intimately related to their crystal structures and there is increasing awareness of the potential importance of metastable structures that exist over a limited temperature and/or pressure range. For the renaissance of nuclear energy to continue it is vital to improve the efficiency and safety of the nuclear fuel process. In order to do this, a comprehensive knowledge of the fundamental chemical, structural, and thermodynamic properties of uranium compounds is required. Compounds of the type A2BUO6 (A = Ba, Sr; B = Ba, Sr, Ca) have been prepared a
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31

Faiza-Rubab, S., Shahnila Naseem, Syed Muhammad Alay-e-Abbas, M. Zulfiqar, Y. Zhao, and S. Nazir. "Structural stability and evolution of half-metallicity in Ba2CaMoO6: interplay of hole- and electron-doping." Physical Chemistry Chemical Physics 23, no. 35 (2021): 19472–81. http://dx.doi.org/10.1039/d1cp03247j.

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32

Weil, Matthias. "Crystal structures of the triple perovskites Ba2K2Te2O9and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6." Acta Crystallographica Section E Crystallographic Communications 74, no. 7 (2018): 1006–9. http://dx.doi.org/10.1107/s2056989018009064.

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Single crystals of Ba2K2Te2O9(dibarium dipotassium nonaoxidoditellurate), (I), Ba2KNaTe2O9(dibarium potassium sodium nonaoxidoditellurate), (II), and Ba2CaTeO6(dibarium calcium hexaoxidotellurate), (III), were obtained from KNO3/KI or KNO3/NaNO3flux syntheses in platinum crucibles for (I) and (II), or porcelain crucibles for (III). (I) and (II) are isotypic and are members of triple perovskites with general formulaA2[12co]A′[12co]B2[6o]B′[6o]O9. They crystallize in the 6H-BaTiO3structure family in space-group typeP63/mmc, with theA,A′,BandB′ sites being occupied by K, Ba, Te and a second Ba in
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33

Faizan, Muhammad, N. Bano, Muhammad Zulfiqar, I. Hussain, Shafaat Hussain Mirza, and Jun Ni. "Exploring the dopant effects on the structural, magnetic, optoelectronic, and thermoelectric properties of Ba2CaMoO6: A detailed Ab-initio investigation." Materials Science in Semiconductor Processing 182 (November 2024): 108693. http://dx.doi.org/10.1016/j.mssp.2024.108693.

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34

Greedan, John, Corey Thompson, Casey Marjerrison, Bruce Gaulin, and Graeme Luke. "Magnetic ordering in double perovskites with 4d and 5d elements." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1353. http://dx.doi.org/10.1107/s205327331408646x.

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B-site ordered double perovskites of the type AA′BB′O6 have attracted attention recently due to unusual and unpredictable modes of magnetic order. Of particular interest are materials where AA′ = Ba, Sr or La and B′ = Mo,Ru,Os and Re and B is a diamagnetic ion such as Li+,Na+,Ca2+, Mg2+, Zn2+ or Cd2+.Crystal symmetries encountered are Fm-3m, I4/m and P21/n as a function of the Goldschmidt tolerance factor which in turn impose local symmetries at the magnetic B′ site of m-3m, 4/m and -1, respectively. The magnetic ions have electronic configurations 4d1, 4d3,5d1, 5d2 and 5d3 with nominal spins,
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35

Ruud, J. A., and B. P. Bewlay. "Sintering Behavior of Ba2CaWO6-Doped-Tungsten." MRS Proceedings 322 (1993). http://dx.doi.org/10.1557/proc-322-553.

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AbstractThe sintering behavior of Ba2CaWO6 co-sintered with W powder was investigated. Measurements of density and mass loss of sintered compacts showed that the Ba2CaWO6-doped-W had a lower density than undoped W and that there was little volatilization of Ba2CaWO6 at temperatures below 1750 °C. The activation energies for densification of Ba2CaWO6-doped-W and undoped W were both measured to be 389 kJ/mol, which indicates the same densification mechanism, grain boundary diffusion, operated for both materials. The reduced densification kinetics of the Ba2CaWO6-doped-W was probably due to incre
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36

Mahendra, Trivedi, Branton Alice, Trivedi Dahryn, and Nayak Gopal. "Evaluation of Physical and Structural Properties of Biofield Energy Treated Barium Calcium Tungsten Oxide." Science Publishing Group, November 9, 2015. https://doi.org/10.5281/zenodo.813647.

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Barium calcium tungsten oxide (Ba2CaWO6) is known for its double perovskite-type crystal structure. The present study was designed to see the effect of biofield energy treatment on physical, atomic, and structural properties of Ba2CaWO6. In this study, Ba2CaWO6 powder sample was divided into two parts, one part was remained as untreated, denoted as control, while the other part was subjected to Mr. Trivedi's biofield energy treatment and coded as treated. After that, the control and treated samples were analyzed using X-ray diffraction (XRD), surface area analyzer, Fourier transform infrared (
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37

Neill, Abby N., Lucas A. Pressley та Tyrel M. McQueen. "Compensation Doping of the Qubit Host Ba2CaWO6-δ". Materials Today Quantum, лютий 2025, 100029. https://doi.org/10.1016/j.mtquan.2025.100029.

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38

Sinha, Mekhola, Tyler J. Pearson, Tim R. Reeder та ін. "Introduction of spin centers in single crystals of Ba2CaWO6−δ". Physical Review Materials 3, № 12 (2019). http://dx.doi.org/10.1103/physrevmaterials.3.125002.

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39

Li, Lingyun, Ziwei Zhou, Fazheng Huang, et al. "Improving luminescence and thermometric performance of Ba2CaWO6:Er3+ by tri-doping with Yb3+ and Na+." Journal of Rare Earths, February 2022. http://dx.doi.org/10.1016/j.jre.2022.02.005.

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40

Mao, Qinan, Gan Li, Xinyu Shen, et al. "Giant enhancement of photoluminescence in Mn4+-activated Ba2CaWO6 phosphors via heterovalent doping with rare-earth ions." Ceramics International, December 2023. http://dx.doi.org/10.1016/j.ceramint.2023.11.387.

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41

Yamamura, Kazuhiro, Makoto Wakeshima, and Yukio Hinatsu. "Structural Phase Transition and Magnetic Properties of Double Perovskites Ba2CaMO6 (M: W, Re, Os)." ChemInform 37, no. 24 (2006). http://dx.doi.org/10.1002/chin.200624008.

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42

Ishikawa, Hajime, Daigorou Hirai, Akihiko Ikeda, et al. "Phase transition in the 5d1 double perovskite Ba2CaReO6 induced by high magnetic field." Physical Review B 104, no. 17 (2021). http://dx.doi.org/10.1103/physrevb.104.174422.

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43

Deluque Toro, C. E., V. E. Vergara, A. V. Gil Rebaza, D. A. Landínez Téllez, and J. Roa-Rojas. "Ground state structural, lattice dynamic, thermodynamic and optical properties of the Ba2CaMoO6 ordered perovskite." Physica B: Condensed Matter, July 2023, 415132. http://dx.doi.org/10.1016/j.physb.2023.415132.

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44

Albalawi, Hind. "Study of Electronic, Optical, Mechanical, and Thermoelectric Aspects of Double Perovskite Oxides Ba2CaMO6 (M = S/Se) for Solar Cells and Transport Applications." Journal of Inorganic and Organometallic Polymers and Materials, May 6, 2025. https://doi.org/10.1007/s10904-025-03800-w.

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45

Celiberti, Lorenzo, Dario Fiore Mosca, Giuseppe Allodi, et al. "Spin-orbital Jahn-Teller bipolarons." Nature Communications 15, no. 1 (2024). http://dx.doi.org/10.1038/s41467-024-46621-0.

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AbstractPolarons and spin-orbit (SO) coupling are distinct quantum effects that play a critical role in charge transport and spin-orbitronics. Polarons originate from strong electron-phonon interaction and are ubiquitous in polarizable materials featuring electron localization, in particular 3d transition metal oxides (TMOs). On the other hand, the relativistic coupling between the spin and orbital angular momentum is notable in lattices with heavy atoms and develops in 5d TMOs, where electrons are spatially delocalized. Here we combine ab initio calculations and magnetic measurements to show
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46

Okamoto, J., G. Shibata, Yu S. Ponosov, et al. "Spin-orbit-entangled state of Ba2CaOsO6 studied by O K-edge resonant inelastic X-ray scattering and Raman spectroscopy." npj Quantum Materials 10, no. 1 (2025). https://doi.org/10.1038/s41535-025-00757-4.

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