Structural phase transitions in vanadium under high pressure

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Published 31 December 2007 Europhysics Letters Association
, , Citation A. K. Verma and P. Modak 2008 EPL 81 37003 DOI 10.1209/0295-5075/81/37003

0295-5075/81/3/37003

Abstract

Results of structural phase stability under high pressure using first-principles electronic-structure calculations are presented for vanadium up to few-megabar pressures. A unique structural phase transition sequence is predicted for the first time in V. Our detailed electronic-structure analysis shows that it is an example of a band Jahn-Teller–induced structural phase transition.

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10.1209/0295-5075/81/37003