Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework
出版年份 2020 全文链接
标题
Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework
作者
关键词
Barium chalcogenides, Density functional theory, BTE, Thermoelectrics, 2D and bulk materials
出版物
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 127, Issue -, Pages 114523
出版商
Elsevier BV
发表日期
2020-11-24
DOI
10.1016/j.physe.2020.114523
参考文献
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- (2019) L. Salik et al. Journal of Superconductivity and Novel Magnetism
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- (2018) A. Bekhti-Siad et al. CHINESE JOURNAL OF PHYSICS
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- (2018) Bimal Debnath et al. JOURNAL OF SOLID STATE CHEMISTRY
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- (2018) A. Benahmed et al. PHILOSOPHICAL MAGAZINE
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- (2015) Hajar Nejatipour et al. PHYSICA SCRIPTA
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- (2013) Mohammed Ameri et al. MOLECULAR SIMULATION
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- (2012) Y. Takagiwa et al. APPLIED PHYSICS LETTERS
- First order structural phase transition in strontium chalcogenides at high pressure
- (2012) A.K. Srivastava et al. COMPUTATIONAL MATERIALS SCIENCE
- Pressure-induced phase transition and elastic properties of barium chalcogenides
- (2010) Kuldeep Kholiya et al. PHASE TRANSITIONS
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- (2010) Emiliano Cadelano et al. PHYSICAL REVIEW B
- PHON: A program to calculate phonons using the small displacement method
- (2009) Dario Alfè COMPUTER PHYSICS COMMUNICATIONS
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