Topological phase, structural, electronic, thermodynamic and optical properties of XPtSb (X=Lu, Sc) compounds

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• 作者：Mitra Narimani ; Zahra Nourbakhsh ; ^{z.nourbakhsh@sci.ui.ac.ir}
• 关键词：XPtSb ; Density functional theory ; Topological phase ; Thermodynamic ; Optical properties
• 刊名：Journal of Physics and Chemistry of Solids
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：102
• 期：Complete
• 页码：121-129
• 全文大小：1018 K
• 卷排序：102

文摘

The structural and electronic properties of XPtSb (X= Lu, Sc) are studied. The effect of pressure on band order of XPtSb is studied. The thermodynamic properties of XPtSb compounds are studied. The LuPtSb (ScPtSb) is topologically nontrivial (trivial) semimetal (semiconductor). The optical properties of XPtSb compounds are investigated and compared.