The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F01%3A00005064" target="_blank" >RIV/00216224:14310/01:00005064 - isvavai.cz</a>
Alternative codes found
RIV/68081723:_____/01:07013251
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path
Original language description
Total energy calculations using full potential linearised augmented plane wave (FLAPW) method were performed along a trigonal displacive phase transformation path in tungsten and lead. In case of lead, we have found a significant influence of spin-orbit(SO) coupling on the total energy profile. Symmetry-dictated and other extrema of the total energy along the deformation path were analyzed. Total energy calculations show that all higher-energy cubic structures studied are locally unstable with respectto trigonal deformation. The elastic constants are calculated and compared with experimental data.
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
Proceedings of the International Conference Juniormat'01
ISBN
80-214-1885-0
ISSN
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e-ISSN
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Number of pages
4
Pages from-to
198
Publisher name
Institute of Materials Engineering, Brno University of Technology, Brno 2001
Place of publication
Brno, Česká republika
Event location
Brno
Event date
Jan 1, 2001
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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