Abstract
The electronic structure of titanium hydrides is calculated by a new method that permits long-range order effects in the nonmetallic sublattices to be taken into account. Good agreement is established with the results of x-ray emission spectroscopy. A description of the paramagnetic susceptibility is given. The contribution of hydrogen-vacancy ordering to the characteristics of the electronic structure is analyzed.
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Fiz. Tverd. Tela (St. Petersburg) 39, 1723–1726 (October 1997)
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Demidenko, V.S., Nechaev, I.A. & Simakov, V.I. Electronic structure and properties of titanium hydrides having a large hydrogen content. Phys. Solid State 39, 1533–1536 (1997). https://doi.org/10.1134/1.1129894
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DOI: https://doi.org/10.1134/1.1129894