Electronic structure and electron-phonon coupling in TiH2

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Electronic structure and electron-phonon coupling in TiH2

Calculations using first principles methods and strong coupling theory are carried out to understand the electronic structure and superconductivity in cubic and tetragonal TiH2. A large electronic density of states at the Fermi level in the cubic phase arises from Ti-t2g states and leads to a structural instability towards tetragonal distortion at low temperatures. However, constraining the in-...

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ژورنال

عنوان ژورنال: Scientific Reports

سال: 2016

ISSN: 2045-2322

DOI: 10.1038/srep28102