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[en] An initial calculation have been performed to study the crystal structures of V(bcc) and its hydrides VHx(0≤x≤2). The optimized crystal structures and total energies are obtained. The stability of hydrides and phase transitions of V-H system and discussed with enhancement of hydrogen concentration in the cell. The calculation results are in remarkably close agreement with experiments
Source
Oct 1999; 11 p; CAEP--0028; ISBN 7-5022-2058-5; 
; 10 refs., 2 tabs., 1 fig.
; 10 refs., 2 tabs., 1 fig.