| Title: | Odhalení vlivu kompresního mechanismu na elektronovou strukturu a související vlastnosti CrF3 Revealing the influence of the compression mechanism on the electronic structure and the related properties of CrF3 |
| Authors: | Al-Jaary, Ali H. Reshak |
| Citation: | AL-JAARY, Ali H. Reshak Revealing the influence of the compression mechanism on the electronic structure and the related properties of CrF3. Journal of Alloys and Compounds, 2016, roč. 660, č. MAR 5 2016, s. 1-10. ISSN 0925-8388. |
| Issue Date: | 2016 |
| Publisher: | Elsevier |
| Document type: | článek article |
| URI: | http://hdl.handle.net/11025/26003 https://www.scopus.com/record/display.uri?origin=resultslist&eid=2-s2.0-84947914332 http://apps.webofknowledge.com/InboundService.do?mode=FullRecord&customersID=Alerting&IsProductCode=Yes&product=WOS&Init=Yes&Func=Frame&DestFail=http%3A%2F%2Fwww.webofknowledge.com&action=retrieve&SrcApp=Alerting&SrcAuth=Alerting&SID=U1wnLaUtaTrKMC1Crfb&UT=WOS%3A000366944300001 2-s2.0-84947914332 000366944300001 |
| ISSN: | 0925-8388 |
| Keywords: | okolní tlak;vysoký tlak;kmen;CrF3;DFT;optické vlastnosti |
| Keywords in different language: | ambient pressure;high pressure;strain;CrF3;DFT;optical properties |
| Abstract: | Vliv kompresního mechanismu na elementární buňky CrF3 je zkoumán pomocí funkční teorie hustoty. Experimentální parametry mřížky pod různými hodnotami tlaku, a to od běžného tlaku až do 9.12 GPa byly optimalizovány tak, aby došlo k uvolnění krystalických struktur. |
| Abstract in different language: | The influence of the compression mechanism on the unit cell of CrF3 is investigated by means of density functional theory. The experimental lattice parameters under different pressure values starting from the ambient pressure up to 9.12 GPa were optimized so as to relax the crystalline structures. |
| Rights: | Plný text není přístupný. © Elsevier |
| Appears in Collections: | Články / Articles (CTM) OBD |
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|---|---|---|---|
| Ali_CrF3-JALCOM-16.pdf | 4,05 MB | Adobe PDF | View/Open Request a copy |
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