Electronic, optical, and mechanical properties of BN, AlN, and InN with zinc-blende structure under pressure

doi:10.1088/1674-1056/26/8/086103

摘要/Abstract

摘要：

In this work, the electronic, optical, and mechanical properties of BN, AlN, and InN under the action of pressure are calculated. For each of these compounds, the energy band structure, band gaps (E_g^L, E_g^Γ,E_g^X), refractive index (n), dielectric constants (ε_∞, ε₀), elastic constants (C₁₁, C₁₂,C₄₄), and relevant parameters such as bulk (B_u), shear (S_h), and Young's (Y₀) moduli are studied, and other important parameters such as bond-stretching (α), bond-bending (β) force constant, internal-strain parameter (ζ), effective charges (e_T^*, Z^*), anisotropy factor (I_s), Poisson's ratio (P_o), Cauchy ratio (C_a), the ductility index (μ_D), and linear compressibility (C₀) are also calculated. The effects of pressure on all studied properties are investigated. Our results are in good agreement with the available experimental and theoretical data for BN, AlN, and InN.

关键词: electronic properties, optical properties, mechanical properties, BN, AlN, InN

Abstract:

Key words: electronic properties, optical properties, mechanical properties, BN, AlN, InN

中图分类号: (Theory of crystal structure, crystal symmetry; calculations and modeling)

61.50.Ah

61.72.uj (III-V and II-VI semiconductors) 62.20.-x (Mechanical properties of solids) 62.20.de (Elastic moduli)

A R Degheidy,E B Elkenany. Electronic, optical, and mechanical properties of BN, AlN, and InN with zinc-blende structure under pressure[J]. 中国物理B, 2017, 26(8): 86103-086103.

A R Degheidy, E B Elkenany. Electronic, optical, and mechanical properties of BN, AlN, and InN with zinc-blende structure under pressure[J]. Chin. Phys. B, 2017, 26(8): 86103-086103.

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