@Article{JAMS-5-1,
author = {Zhang, L.-Q. and Y., Cheng and Z.-W., Niu},
title = {Elastic Properties and Phonon Dispersion of bcc Vanadium under Pressure from First Principles},
journal = {Journal of Atomic and Molecular Sciences},
year = {2014},
volume = {5},
number = {1},
pages = {81--94},
abstract = {<p style="text-align: justify;">We investigate the elastic properties and phonon dispersion of the body-centered
cubic structure vanadium $(V)$ under pressure by using the generalized gradient
approximation (GGA). Our elastic constants of $V$ at zero pressure and zero temperature
are in good agreement with the available experimental data and other theoretical
data. The pressure dependences of bulk modulus $B$ and its pressure derivative $B&#39;,$ shear modulus $G,$ elastic Debye temperature $\Theta_E,$ elastic anisotropy factor $A,$ Poisson
ratios $σ$ and Kleinmann parameter $ζ$ are also presented. An analysis for the calculated
elastic constants has been made to reveal the mechanical unstability of $V$ up to 100
GPa. For the phonon dispersions of $V,$ it is easily seen that the phonon frequencies
increase as the volume decreases, the phonon mode linked to a Kohn anomaly has
softened to negative values.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.072513.101413a},
url = {https://global-sci.com/article/74292/elastic-properties-and-phonon-dispersion-of-bcc-vanadium-under-pressure-from-first-principles}
}