G6.11, Sukit Limpijumnong et al. The electronic band structure, structural and bonding, and some linear and nonlinear optical properties are calculated for a new ternary nitride compound ZnGeN 2 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. Full text of this article is available. For information about using Adobe Acrobat files, click here .