Phonon instability and structural phase transition in Vanadium under high pressure

Details Phonon instability and structural phase transition in Vanadium under high pressure Phonon instability and structural phase transition in Vanadium under high pressure

2007-04-05

arxiv.org/abs/0704.0696v1

Physics

Condensed Matter

Materials Science

16 pages, 4 figures

Scientific paper

10.1209/0295-5075/81/37003

Results of the first-principles calculations are presented for the group-VB metals V, Nb and Ta up to couple of megabar pressure. An unique structural phase transition sequence BCC-->(at 60 GPa) rhombohedral (angle=110.5 degree)-->(at ~ 160 GPa)rhombohedral(angle=108.5 degree)--> (at ~ 430 GPa) BCC is predicted in V. We also find that BCC-V becomes mechanically and vibrationally unstable at around 112 GPa pressure. Similar transitions are absent in Nb and Ta.

Affiliated with

Also associated with

No associations

Rating

Phonon instability and structural phase transition in Vanadium under high pressure does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Phonon instability and structural phase transition in Vanadium under high pressure, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Phonon instability and structural phase transition in Vanadium under high pressure will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-293048