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Electronic Structure and Ferromagnetic Transition Temperature of Ga1– xMnxAs in the Nonempirical Local Exchange Method
- Source :
- Inorganic Materials. 55:1-8
- Publication Year :
- 2019
- Publisher :
- Pleiades Publishing Ltd, 2019.
-
Abstract
- Density functional theory (DFT) calculations have been used to study the band structure and density of states of a Ga1 – xMnxAs diluted magnetic semiconductor. It has been shown that some of the Mn 3d states are hybridized with the valence band at the Fermi level. Magnetic properties have been calculated by a multiscale method using DFT densities of states and exchange integrals calculated for a Mn atom by the Hartree–Fock method. The theoretical ferromagnetic transition temperature TC of Ga0.9375Mn0.0625As agrees with experimental data. spintronic materials, diluted magnetic semiconductor, GaAs, Mn, density functional method, density of states, band structure
- Subjects :
- 010302 applied physics
Materials science
Valence (chemistry)
Condensed matter physics
General Chemical Engineering
Fermi level
Metals and Alloys
Hartree–Fock method
02 engineering and technology
Magnetic semiconductor
021001 nanoscience & nanotechnology
01 natural sciences
Inorganic Chemistry
Condensed Matter::Materials Science
symbols.namesake
Ferromagnetism
0103 physical sciences
Materials Chemistry
symbols
Density of states
Density functional theory
0210 nano-technology
Electronic band structure
Subjects
Details
- ISSN :
- 16083172 and 00201685
- Volume :
- 55
- Database :
- OpenAIRE
- Journal :
- Inorganic Materials
- Accession number :
- edsair.doi...........0e2aa3bad1e971463ee9a6040dcac9c9