Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations
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- 作者：O.Miloud Abida ; S. Menouera ; A. Yakoubia ; H. Khachaia ; S. Bin Omranb ; G. Murtazac ; Deo Prakashd ; deoprakash.a@gmail.com" class="auth_mail" title="E-mail the corresponding author ; R. Khenatae ; khenata_rabah@yahoo.fr" class="auth_mail" title="E-mail the corresponding author ; K.D. Vermaf ; kdverma1215868@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ab initio calculations ; Crystal structure ; Elastic properties ; Electronic structure ; Thermodynamic properties ; Transport properties
- 刊名：Superlattices and Microstructures
- 出版年：2016
- 出版时间：May 2016
- 年：2016
- 卷：93
- 期：Complete
- 页码：171-185
- 全文大小：3783 K
文摘
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Some physical properties of NbMSb (M = Fe,Ru,Os) compounds have been investigated.
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Elastic, thermoelectric and thermodynamic properties are studied for the first time.
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Lattice parameters are found to compare well with the available experimental data.
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The compounds exhibit a narrow band gap (Γ−X) and behave in a ductile manner.
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