Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium

Details Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium Elastic constants and volume changes associated with two high-pressure rhombohedral phase transformations in vanadium

2007-11-27

arxiv.org/abs/0711.4383v2

Physics

Condensed Matter

Materials Science

6 pages, 3 figures

Scientific paper

10.1103/PhysRevB.77.134105

We present results from ab initio calculations of the mechanical properties of the rhombohedral phase (beta) of vanadium metal reported in recent experiments, and other predicted high-pressure phases (gamma and bcc), focusing on properties relevant to dynamic experiments. We find that the volume change associated with these transitions is small: no more than 0.15% (for beta - gamma). Calculations of the single crystal and polycrystal elastic moduli (stress-strain coefficients) reveal a remarkably small discontinuity in the shear modulus and other elastic properties across the phase transitions even at zero temperature where the transitions are first order.

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