期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 18, 期 22, 页码 5079-5085出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/18/22/008
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First-principles total-energy calculations were performed for the trigonal shear elastic constant (C-44) of body-centred cubic (bcc) V and Nb. A mechanical instability in C44 is found for V at pressures of similar to 2 Mbar which also shows a softening in Nb at pressures of similar to 0.5 Mbar. We argue that the pressure-induced shear instability (softening) of V (Nb) is due to the intra-band nesting of the Fermi surface.
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