The roles of position on the electronic structures, magnetic and optical properties of Cr-doped GaAs

Deming Ma; Yufan Deng; Yanyan Cao; Yongyong Chai; Enling Li; Lingkai Yuan

doi:10.1117/12.2558017

17 April 2020 The roles of position on the electronic structures, magnetic and optical properties of Cr-doped GaAs

Deming Ma, Yufan Deng, Yanyan Cao, Yongyong Chai, Enling Li, Lingkai Yuan

Proceedings Volume 11455, Sixth Symposium on Novel Optoelectronic Detection Technology and Applications; 114550D (2020) https://doi.org/10.1117/12.2558017
Event: Sixth Symposium on Novel Photoelectronic Detection Technology and Application, 2019, Beijing, China

Abstract

A first-principles projector augmented wave method in the framework of density functional theory is performed to study electronic structures, magnetic and optical properties of Cr-doped GaAs in three different positions. The complex dielectric function, absorption coefficient and electron energy-loss are discussed for optical properties. The results predict that (Ga, Cr)As systems exhibit typical half-metallic properties and stable ferromagnetism when Cr atoms doping in the interior of the supercell, in which deep levels are formed in the forbidden band and reduces the energy gap, increases static dielectric constant greatly and red-shifts the absorption edge obviously. In addition, a smaller magnetic moments from As and Ga atoms are generated by p-d hybridization, and Cr atoms interact antiferromagnetically with As atoms and ferromagnetically with Ga atoms respectively. While the metallic character is observed that Cr atoms are doped on the surface of the supercell.

Citation Download Citation

Deming Ma, Yufan Deng, Yanyan Cao, Yongyong Chai, Enling Li, and Lingkai Yuan "The roles of position on the electronic structures, magnetic and optical properties of Cr-doped GaAs", Proc. SPIE 11455, Sixth Symposium on Novel Optoelectronic Detection Technology and Applications, 114550D (17 April 2020); https://doi.org/10.1117/12.2558017

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