WFRF:(Landa A.)
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- Landa, A. (author)
Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures
- Article/chapterEnglish2006
Publisher, publication year, extent ...
- 2006-05-19
- IOP Publishing,2006
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-15779
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-15779URI
- https://doi.org/10.1088/0953-8984/18/22/008DOI
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- Language:English
- Summary in:English
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- SwePubSwePub
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Notes
- QC 20100525
- 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.
Subject headings and genre
- tin orbitals theory
- soft phonon mode
- brillouin-zone
- special points
- energy method
- approximation
Added entries (persons, corporate bodies, meetings, titles ...)
- Klepeis, J. (author)
- Soderlind, P. (author)
- Naumov, I. (author)
- Velikokhatnyi, O. (author)
- Vitos, LeventeKTH,Tillämpad materialfysik(Swepub:kth)u17bp5wm (author)
- Ruban, Andrei V.KTH,Tillämpad materialfysik(Swepub:kth)u1uo08he (author)
- KTHTillämpad materialfysik (creator_code:org_t)
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- In:Journal of Physics: IOP Publishing18:22, s. 5079-50850953-89841361-648X
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