Electronic Structure and Optical Properties of ZnGeN2

Abstract

The electronic band structure, structural and bonding, and some linear and nonlinear optical properties are calculated for a new ternary nitride compound ZnGeN2 using first-principles methods. Good agreement is obtained with crystallographic data and with absorption data on the band gap. The prospects for use as nonlinear optical material are discussed.

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Correspondence to Sukit Limpijumnong.

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Limpijumnong, S., Rashkeev, S.N. & Lambrecht, W.R.L. Electronic Structure and Optical Properties of ZnGeN2. MRS Online Proceedings Library 537, 611 (1998). https://doi.org/10.1557/PROC-537-G6.11

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