Abstract:Tungsten was incorporated in SiC and W related defects were investigated using deep level transient spectroscopy. In agreement with literature, two levels related to W were detected in 4H–SiC, whereas only the deeper level was observed in 6H–SiC. The predicted energy level for W in 3C–SiC was observed (EC−0.47 eV). Tungsten serves as a common reference level in SiC. The detected intrinsic levels align as well: E1 (EC−0.57 eV) in 3C–SiC is proposed to have the same origin, likely VC, as EH6/7 in 4H–SiC and E7 i… Show more
“…For all of these defects, the structure and the corresponding ionization energies are well established from experiments [21][22][23]25]. In addition, we investigate tungsten (W) in 4H SiC because W-related ionization energies have been detected recently [24]. In this case, the origin of the W-related centers are not ambiguously identified.…”
We study selected transition-metal-related point defects in silicon and silicon carbide semiconductors by a range-separated hybrid density functional (HSE06). We find that HSE06 does not fulfill the generalized Koopmans' theorem for every defect, which is due to the self-interaction error in the functional in such cases. Restoring the so-called generalized Koopmans' condition with a simple correction in the functional can eliminate this error and brings the calculated charge transition levels remarkably close to the experimental data as well as to the calculated quasiparticle levels from many-body perturbation theory.
“…For all of these defects, the structure and the corresponding ionization energies are well established from experiments [21][22][23]25]. In addition, we investigate tungsten (W) in 4H SiC because W-related ionization energies have been detected recently [24]. In this case, the origin of the W-related centers are not ambiguously identified.…”
We study selected transition-metal-related point defects in silicon and silicon carbide semiconductors by a range-separated hybrid density functional (HSE06). We find that HSE06 does not fulfill the generalized Koopmans' theorem for every defect, which is due to the self-interaction error in the functional in such cases. Restoring the so-called generalized Koopmans' condition with a simple correction in the functional can eliminate this error and brings the calculated charge transition levels remarkably close to the experimental data as well as to the calculated quasiparticle levels from many-body perturbation theory.
“…The motivation of this selection was twofold: (i) experimental data were available for most of these impurities in SiC [13, 22,23], which made a comparison between theory and experiment possible, (ii) the trends could be studied among 4s 2 3d 2 -3d 4 M defects and among 4s 2 3d 4 -6s 2 5d 4 M defects (see Fig. 1).…”
Transition metal defects were studied in different polytypes of silicon carbide (SiC) by ab initio supercell calculations. We found asymmetric split-vacancy (ASV) complexes for these defects that preferentially form at only one site in hexagonal polytypes, and they may not be detectable at all in cubic polytype. Electron spin resonance study demonstrates the existence of ASV complex in niobium doped 4H polytype of SiC.Funding Agencies|Swedish Foundation for Strategic Research||Swedish Research Council||Swedish Energy Agency||Swedish National Infrastructure for Computing|SNIC 011/04-8SNIC001-10-223|Knut and Alice Wallenberg Foundation|
“…It is known, that the valence bands of the different SiC-polytypes [31] align and previously it was observed, that also intrinsic defects align [29,32]. Hemmingsson et al [16] detected a multistable defect present in 6H-SiC.…”
Section: Comparison With Metastable Defect Detected In 6h-sicmentioning
The energy needed to conduct the transformations were determined to E A (A → B) = (2.1 ± 0.1) eV and E A (B → A) = (2.3 ± 0.1) eV, respectively. The pre-factor indicated an atomic jump process for the opposite transition A → B and a charge carrieremission dominated process in case of B → A. Minority charge carrier injection enhanced the transformation from configuration B to configuration A by lowering the transition barrier by about 1.4 eV. Since the bistable FB-center is already present after low-energy electron irradiation (200 keV), it is likely related to carbon.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.