Electronic Band Structure and Complex Dielectric Function of zb-AlP: A First Principles Study |
| K. Uma Mahendra Kumar
Dept of Physics, School of Advanced Science, Vellore Institute of Technology, Vellore-632014, India |
| Received: May 6, 2019; revised version June 13, 2019; in final form August 12, 2019 |
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| From first principles, the electronic and optical properties of zb-AlP are calculated. Based on calculated band structure, within the RPA approximation, the complex dielectric function and linear optical properties are calculated. With a band gap of 1.54 eV, zb-AlP shows typical wide band gap semiconductor like optical properties. The plasmon frequency ωp is found in the ultraviolet region. |
DOI:10.12693/APhysPolA.136.486 topics: aluminum phosphide, optical properties, DFT, complex dielectric function |