Electronic structure, doping, and lattice dynamics of LiGaO2

Adisak Boonchun; Walter R. L. Lambrecht

doi:10.1117/12.879320

10 March 2011 Electronic structure, doping, and lattice dynamics of LiGaO₂

Adisak Boonchun, Walter R. L. Lambrecht

Proceedings Volume 7940, Oxide-based Materials and Devices II; 79400N (2011) https://doi.org/10.1117/12.879320
Event: SPIE OPTO, 2011, San Francisco, California, United States

Abstract

First-principles calculations are used to study the properties of LiGaO₂, a potentially useful opto-electronic material in conjunction with ZnO. Its band structure is evaluated using the quasiparticle self-consistent GW method. The band gap is found to be significantly larger than the reported room temperature absorption onset. Estimates are made of the finite temperature and excitonic corrections. Potential n- and p-type dopants are studied in the local density approximation, using a supercell approach. The lattice dynamical properties are studied using the density functional perturbation method.

Citation Download Citation

Adisak Boonchun and Walter R. L. Lambrecht "Electronic structure, doping, and lattice dynamics of LiGaO₂", Proc. SPIE 7940, Oxide-based Materials and Devices II, 79400N (10 March 2011); https://doi.org/10.1117/12.879320

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