1988
DOI: 10.1103/physrevb.37.790
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Calculated thermal properties of metals

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Cited by 842 publications
(492 citation statements)
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“…The full-potential linearized augmented plane wave method in film geometry 25,26 as implemented in the FLEUR code was used and the local density approximation 27 to the density functional theory was employed. Spin-orbit coupling was included in the selfconsistent calculations.…”
Section: Ab Initio Calculationsmentioning
confidence: 99%
“…The full-potential linearized augmented plane wave method in film geometry 25,26 as implemented in the FLEUR code was used and the local density approximation 27 to the density functional theory was employed. Spin-orbit coupling was included in the selfconsistent calculations.…”
Section: Ab Initio Calculationsmentioning
confidence: 99%
“…Using experimentally determined autowave lengths λ and propagation rates Considering the accuracy of theoretical calculations, we conclude that further improvement of the calculated parameters can be achieved by going beyond the DebyeGrüneisen theory of Ref. [24] and calculating the transverse elastic wave rate directly from ab initio elastic constants. Though this path is substantially more time consuming, it should lead to higher accuracy of the determination of microscopic parameters for the description of localized plastic flow auto-waves, especially in hexagonal and magnetic alloys.…”
Section: Discussionmentioning
confidence: 99%
“…Despite its simplicity, the approach has been shown to give reliable results for pure metals [24], as well as for alloys [25,26].…”
Section: Theoretical Calculations Of Materials Specific Microscopic Pmentioning
confidence: 99%
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