Calculation of spin-Hamiltonian constants for extended defects (VSi-VC)0 (Ky5) in silicon carbide polytype 3C-SiC
Journal Title: Semiconductor Physics, Quantum Electronics and Optoelectronics - Year 2018, Vol 21, Issue 3
Abstract
This work presents theoretical studying the neutral divacancy, i.e., the Ky5 center that is one of the dominant defects in 3C-SiC bulk crystals subjected to relatively high dose of neutron irradiation. Being the paramagnetic center, the extended defect Ky5 shows the value of the zero field splitting (ZFS) in the electron paramagnetic resonance (EPR) signal D = 443⋅10 –4 cm –1 and 454⋅10 –4 cm –1 in two modifications. To understand the ZFS value, relativistic ab initio calculation has been carried out for obtaining the electron structure of 3C-SiC crystal containing the defect Ky5. Using the WIEN program package, the self-consisting values of the electron density ρ and controlling ρ potential V have been found. Based on the obtained values ρ and V, the contributions in ZFS from dipole-dipole and spin-orbit interactions have been found. It has been shown that the main contribution stems from the dipole-dipole interaction. Spin-orbit interaction gives a negligible contribution to ZFS. Due to the relativistic approach, spin-up and spin-down values of the electron density have been obtained, which permits to calculate the hyperfine fields at the nuclei in environment of the divacancy in 3C-SiC.
Authors and Affiliations
B. D. Shanina
Keywords
Related Articles
- EP ID EP416020
- DOI 10.15407/spqeo21.03.225
- Views 98
- Downloads 0
Trap-assisted conductivity in anodic oxide on InSb
The direct current conductivity of anodic oxide of InSb has been investigated as a function of applied bias and temperature. Proposed in this work is a model of conductivity that includes ohmic, trap-assisted tunneling a...
Optical studies of as-deposited and annealed Cu7GeS5I thin films
Cu7GeS5I thin films were obtained by non-reactive radio frequency magnetron sputtering onto silicate glass substrates. Optical transmission spectra of as-deposited and annealed Cu7GeS5I thin films were measured in the te...
Raman study of L-Asparagine and L-Glutamine molecules adsorbed on aluminum films in a wide frequency range
Using micro-Raman spectroscopy, a detailed study of vibrational spectra of L-Asparagine and L-Glutamine amino acids adsorbed on aluminum foils were carried out within the frequency range 80…3500 cm–1 under different exci...
The role of magnetic component of a strong light field in electrostrictive effect
Electrostriction forces during laser ablation have been studied both theoretically and experimentally. The components of electroctrostriction force for inhomogeneous electromagnetic field near a substrate were proposed t...
Clusters of nickel atoms and controlling their state in silicon lattice
The paper reports that using IR-spectroscopy technique, it has been revealed that nickel atoms in the silicon lattice are gathered in clusters, i.e., the phenomenon of self- assembly takes place. The concentration and di...