Title: | Density functional theory TeO2 crystal |
Authors: | Naseri, Mosayeb Jalilian, Jaafar Al-Jaary, Ali H. Reshak |
Citation: | NASERI, M., JALILIAN, J., AL-JAARY, A. H. R. Electronic and optical properties of paratellurite TeO2 under pressure: A first-principles calculation. Optik, 2017, roč. 139, č. 1 June 2017, s. 9-15. ISSN 0030-4026. |
Issue Date: | 2017 |
Publisher: | Elsevier |
Document type: | článek article |
URI: | http://hdl.handle.net/11025/29292 |
ISSN: | 0030-4026 |
Keywords: | Funkční teorie hustoty;TeO2 krystal;Elektronické vlastnosti;Optické vlastnosti |
Keywords in different language: | Density functional theory;TeO2 crystal;Electronic properties;Optical properties |
Abstract: | V tomto článku jsou zkoumány elektronické a optické vlastnosti parateluritu TeO2 (Alpha-TeO2) monokrystal pod tlakem do 9 GPa pomocí výpočtů prvních zásad v rámci teorie funkční hustoty |
Abstract in different language: | In this communication, the electronic and optical properties of paratellurite TeO2 ( Alpha-TeO2) single crystal under pressure up to 9 GPa are investigated by means of the first principles calculations in the framework of the density functional theory |
Rights: | Plný text není přístupný. © Elsevier |
Appears in Collections: | Články / Articles (CTM) OBD |
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