Structural and Thermomechanical Properties of Zincblende-Type ZnX (X = S, Se, Te)

• Published in: Journal of electronic materials Vol. 48; no. 9; pp. 5806 - 5812
• Main Authors: Hieu, Ho Khac, Hanh, Pham Thi Minh, Hong, Phan Thi Thanh, Ha, Vu Thi Thanh, Duc, Nguyen Ba, Khoa, Doan Quoc, Nghia, Nguyen Van
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.09.2019; Springer Nature B.V
• Subjects: Anharmonicity; Bulk modulus; Characterization and Evaluation of Materials; Chemistry and Materials Science; Displacements (lattice); Electronics and Microelectronics; High temperature; Instrumentation; Lattice parameters; Materials Science; Modulus of elasticity; Optical and Electronic Materials; Shear modulus; Solid State Physics; Statistical mechanics; Tellurium; Thermomechanical properties; Zincblende; Zn; Thermodynamic properties; elastic modulus; mechanical properties; mean-square displacement
• ISSN: 0361-5235; 1543-186X
• DOI: 10.1007/s11664-019-07360-x

The structural and thermomechanical properties of zincblende Zn X ( X  = S, Se, Te) compounds have been investigated based on the moment method in statistical mechanics. Expressions for the lattice constant, atomic mean-square displacement (MSD), and elastic moduli (Young’s modulus, bulk modulus, and shear modulus) of the zincblende compounds were derived. The results show that the quantum-mechanical zero-point vibrations make the main contribution to the atomic MSDs at low temperature. At high temperature, due to the predominance of anharmonicity, the atomic MSDs increase rapidly with increasing temperature. The Young’s modulus and shear modulus of the zinc chalcogenides Zn X ( X  = S, Se, Te) were calculated. The data derived from this research can be seen as useful references for future experiments.