Electronic, Structural, Elastic, and Thermodynamic Properties of X2TiBr6 (X = Li and Na) under Pressure: A DFT Investigation

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作者
Maizi, R. [1 ]
Ksouri, R. [1 ]
Boudjahem, A.G. [1 ]
Derdare, M. [1 ]
Cheghib, N. [1 ]
Djaghout, I. [1 ]
机构
[1] Computational Catalysis Group, Laboratory of Applied Chemistry, University of Guelma, Box 401, Guelma,24000, Algeria
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Compilation and indexing terms; Copyright 2025 Elsevier Inc;
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摘要
Elastic moduli - Energy gap - Inorganic compounds - Lithium - Sodium compounds - Specific heat
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