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 82
- Downloads 0
Integration of LED/SC chips (matrix) in reverse mode with solar energy storage
In this work, for the first time we investigated controlling the quantum efficiencies of III-nitride LED/SC (solar cells) new energy accumulating elements and supercapacitors as energy storage devices (Enestors). It has...
Direct synthesized graphene-like film on SiO2: Mechanical and optical properties
Exploiting CVD technique for carbon deposition from C2H2+H2+N2 mixture, a graphene-like film synthesized directly on SiO2 surface of SiO2-Si structure was obtained. The graphene-like film was grown under thin Ni layer th...
Performance limits of terahertz zero biased rectifying detectors for direct detection
Performance limits of uncooled unbiased field effect transistors (FETs) and Schottky-barrier diodes (SBDs) as direct detection rectifying terahertz (THz) detectors operating in the broadband regime have been considered i...
Electrical properties of InSb p-n junctions prepared by diffusion methods
InSb p-n junctions were prepared by three diffusion methods, including isothermal, two-temperature and two-stage diffusion processes. The current-voltage characteristics were measured as a function of temperature and bia...
Ellipsometry and optical spectroscopy of low-dimensional family TMDs
Here, we report a comprehensive study of fundamental optical properties of two-dimensional materials. These properties have been ascertained using spectroscopic ellipsometry, optical spectroscopy of Raman scattering, and...