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First-Principles Study of the Jahn-Teller Distortion in the Ti1-XVXH2 and Zr1-XNbxH2 Alloys
First-Principles Study of the Jahn-Teller Distortion in the Ti1-XVXH2 and Zr1-XNbxH2 Alloys
2008
Ramiro Quijano
Romeo de Coss
David J. Singh
Keywords:
First principle
Jahn–Teller effect
Transition metal
Electronic band structure
Computational chemistry
Chemistry
Condensed matter physics
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