Phonon instability and structural phase transition in Vanadium under high pressure

Ashok K. Verma; P. Modak

doi:10.1209/0295-5075/81/37003

Phonon instability and structural phase transition in Vanadium under high pressure

Materials Science 2009-11-13 v1

Authors: Ashok K. Verma , P. Modak

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Abstract

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.

Keywords

high-pressure phase transitions

Cite

@article{arxiv.0704.0696,
  title  = {Phonon instability and structural phase transition in Vanadium under high pressure},
  author = {Ashok K. Verma and P. Modak},
  journal= {arXiv preprint arXiv:0704.0696},
  year   = {2009}
}

Comments

16 pages, 4 figures

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