Abstract
Calculations are made of the electronic structures of TiH0.73 and TiH hydrides having a NaCl crystal structure and TiH1.5, TiH0.73, and TiH having a CaF2 structure. Estimates of their superconductivity temperature indicate that this should be significantly higher for the stoichiometric NaCl phase compared to nonstoichiometric phases. The results are compared with the characteristics of the χ phase of titanium hydride TiH0.73 which undergoes a superconducting transition at 4.3 K.
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Fiz. Tverd. Tela (St. Petersburg) 40, 195–197 (February 1998)
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Nechaev, I.A., Simakov, V.I. & Demidenko, V.S. Electronic structure and stability relations of CaF2 and NaCl phases in a Ti-H system. Phys. Solid State 40, 173–175 (1998). https://doi.org/10.1134/1.1130264
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DOI: https://doi.org/10.1134/1.1130264