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Anomalous temperature dependence of elastic constant c(44) in V, Nb, Ta, Pd, and Pt
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.ORCID-id: 0000-0003-2832-3293
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
Vise andre og tillknytning
2010 (engelsk)Inngår i: Journal of Physics and Chemistry of Solids, ISSN 0022-3697, E-ISSN 1879-2553, Vol. 71, nr 8, s. 1065-1068Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The anomalous temperature dependence of elastic constant c(44) for elements V. Nb, Ta, Pd, and Pt, has been calculated using first-principles theory. It is shown that the variation of elastic constant for simple elements can be approximated as the sum of thermal expansion and electronic components. The thermal expansion contributes the normal linearly decreasing effect to the elastic constant with temperature, while electronic contribution is determined by the unique character of electronic structure of elements and leads to the anomalous effect to the elastic constant with temperature.

sted, utgiver, år, opplag, sider
2010. Vol. 71, nr 8, s. 1065-1068
Emneord [en]
Elements, Ab initio calculations, Elastic properties
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-29238DOI: 10.1016/j.jpcs.2010.03.007ISI: 000280977000008Scopus ID: 2-s2.0-77955554710OAI: oai:DiVA.org:kth-29238DiVA, id: diva2:392834
Merknad
QC 20110128Tilgjengelig fra: 2011-01-28 Laget: 2011-01-27 Sist oppdatert: 2017-12-11bibliografisk kontrollert

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