About: Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study     Goto   Sponge   NotDistinct   Permalink

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  • The electronic and atomic structure of SrTiO3 crystals below the antiferrodistortive phase transition observed at 105 K is calculated using the hybrid B3PW functional as implemented in the ab initio CRYSTAL-2003 computer code.
  • The electronic and atomic structure of SrTiO3 crystals below the antiferrodistortive phase transition observed at 105 K is calculated using the hybrid B3PW functional as implemented in the ab initio CRYSTAL-2003 computer code. (en)
  • Elektronová a atomová struktura byla počítána pro antiferodistorzivní fázi krystalů SrTiO3 , jenž existuje pod teplotou fázového přechodu 105 oK. Hybridní B3PW funkcionál byl použit při ab initio výpočtech v rámci CRYSTAL-2003 počítačového kódu. (cs)
Title
  • Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study
  • Výpočet antiferodistorzivní fáze perovskitu SrTiO3: studium v rámci hybridního funkcionálu hustoty (cs)
  • Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study (en)
skos:prefLabel
  • Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study
  • Výpočet antiferodistorzivní fáze perovskitu SrTiO3: studium v rámci hybridního funkcionálu hustoty (cs)
  • Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study (en)
skos:notation
  • RIV/68378271:_____/06:00307801!RIV08-AV0-68378271
http://linked.open.../vavai/riv/strany
  • 4845;4851
http://linked.open...avai/riv/aktivita
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  • P(1QS100100563), Z(AV0Z10100522)
http://linked.open...iv/cisloPeriodika
  • -
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  • 467638
http://linked.open...ai/riv/idVysledku
  • RIV/68378271:_____/06:00307801
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • antiferrodistortive phase; SrTiO3; hybrid density functional study (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [C24270E44AD7]
http://linked.open...i/riv/nazevZdroje
  • Journal of Physics-Condensed Matter
http://linked.open...in/vavai/riv/obor
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http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 18
http://linked.open...iv/tvurceVysledku
  • Trepakov, Vladimír
  • Heifets, E.
  • Kotomin, E.
http://linked.open...n/vavai/riv/zamer
issn
  • 0953-8984
number of pages
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