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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 respect to trigonal deformation. The elastic constants are calculated and compared with experimental data.
- 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 respect to trigonal deformation. The elastic constants are calculated and compared with experimental data. (en)
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Title
| - The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path
- The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path (en)
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skos:prefLabel
| - The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path
- The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path (en)
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skos:notation
| - RIV/00216224:14310/01:00005064!RIV/2002/MSM/143102/N
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA106/99/1178), P(IAA1010817), P(OC P3.10), Z(AV0Z2041904)
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216224:14310/01:00005064
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - ab initio, spin-orbit coupling, displacive transformation path (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...v/mistoKonaniAkce
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http://linked.open...i/riv/mistoVydani
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http://linked.open...i/riv/nazevZdroje
| - Proceedings of the International Conference Juniormat'01
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...ocetUcastnikuAkce
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http://linked.open...nichUcastnikuAkce
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...iv/tvurceVysledku
| - Friák, Martin
- Šob, Mojmír
- Legut, Dominik
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http://linked.open...vavai/riv/typAkce
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http://linked.open.../riv/zahajeniAkce
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http://linked.open...n/vavai/riv/zamer
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number of pages
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http://purl.org/ne...btex#hasPublisher
| - Vysoké učení technické v Brně. Fakulta strojního inženýrství
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https://schema.org/isbn
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http://localhost/t...ganizacniJednotka
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