First-principles investigations of electronic and optical properties of Er-doped GaN involved in ErGaN/ErN quantum well heterostructures
Document title: First-principles investigations of electronic and optical properties of Er-doped GaN involved in ErGaN/ErN quantum well heterostructures
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000460765
ISSN: 0035-001X
Authors: 1
2
3
4
5
Institutions: 1National Polytechnic School of Oran-Maurice Audin, Department of Electrical Engineering, Oran. Argelia
2Semiconductors Technology for Energetic Research Center, Argel. Argelia
3Higher Normal School of Bechar, Bechar. Argelia
4National Polytechnic School of Oran-Maurice Audin, Oran. Argelia
5Universite Tahri Mohammed, Bechar. Argelia
Year:
Season: May-Jun
Volumen: 68
Number: 3
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, teórico
English abstract We study the electronic, the optical and the transport properties of both bulk materials ErN and Er0.125Ga0.875N, which crystallize in zinc-blind and wurtzite structures, respectively, and are utilized in quantum well devices. The properties are calculated using density functional theory (DFT), by applying the full-potential linearized augmented plane-wave (FP-LAPW) method with a spin-orbit coupling effect. The analysis of the electronic properties shows that ErN and Er0.125Ga0.875N have a band gap at 0.79 and 3.38 eV, respectively. On the other hand, the technology makes it possible to stack these materials for a quantum well heterostructure of Er0.125Ga0.875N/ErN. The optical properties such as optical coefficients, refractive index and extinction coefficient are discussed in detail. The transport properties of alloys are investigated using the semi-classical Boltzmann theory as implemented in the BoltzTraP code in conjunction with ab initio electronic structure calculations. Our findings suggest that Er doping of wide band gap semiconductors could be a viable option for quantum well devices
Disciplines: Física y astronomía
Keyword: Optica,
GaN dopado con Er,
Propiedades ópticas,
Propiedades electrónicas
Keyword: Optics,
Er-doped GaN,
Optical properties,
Electronic properties
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