Electronic & Semiconducting Properties of ZnTe at Ambient and High Pressure

We report advance ab-initio computational results on the electronic structure and semiconducting properties of ZnTe which have been carried out using the first-principles tight-binding linear muffin-tin orbital method (TB-LMTO) within local density approximation (LDA). These theoretical calculations are performed to study the electronic band structures and other semiconductor’s properties like band gap, Fermi energy, density of states (DOS) etc. for ambient pressure zinc blende (B3) phase of ZnTe as well as high pressure rock salt (B1) phase of ZnTe. The calculated parameters are found to be change with pressure which has been explained in detail. Our results are found to be in agreement with earlier available similar observed results. KeywordsElectronic band structure, semiconductor, DOS, Fermi energy, Band gap, LDA, DFT.