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Updated: Jun 1, 2026

3D Depth Profile Reconstruction of Segregated Impurities Using Secondary Ion Mass Spectrometry
Published on: April 29, 2020
First-principle electronic, elastic, and optical study of cubic gallium nitride
Zahid Usman1, Chuanbao Cao, Ghulam Nabi
1Research Centre of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
Abstract:
The ab initio pseudopotential (PP) method within the generalized gradient approximation (GGA) has been used to investigate the electronic, elastic constants, and optical properties of zinc-blende GaN. An underestimated band gap along with higher DOS and squeezed energy bands around the fermi level is obtained. The d-band effect is briefly discussed for electronic band structure calculations. With the help of elastic constants, acoustic wave speeds are calculated in [100], [110], and [111] planes. The dielectric constant, refractive index, and its pressure coefficient are well illustrated. The effect of hydrostatic pressure is explicated for all these properties. The results of the present study are evaluated with the existing experimental and first-principle calculations.
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