10 March 2011 Electronic structure, doping, and lattice dynamics of LiGaO2
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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.
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Adisak Boonchun, 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); doi: 10.1117/12.879320; https://doi.org/10.1117/12.879320
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