Atomic‐scale design of anode materials for alkali metal (Li/Na/K)‐ion batteries: Progress and perspectives
The development and optimization of high‐performance anode materials for alkali metal ion
batteries is crucial for the green energy evolution. Atomic scale computational modeling …
batteries is crucial for the green energy evolution. Atomic scale computational modeling …
Negative- System of Carbon Vacancy in -SiC
Using electron paramagnetic resonance (EPR), energy levels of the carbon vacancy (VC) in
4 H-SiC and its negative-U properties have been determined. Combining EPR and deep …
4 H-SiC and its negative-U properties have been determined. Combining EPR and deep …
Ab initio study of the migration of intrinsic defects in
M Bockstedte, A Mattausch, O Pankratov - Physical Review B, 2003 - APS
The diffusion of intrinsic defects in 3 C− SiC is studied using an ab initio method based on
density functional theory. The vacancies are shown to migrate on their own sublattice. The …
density functional theory. The vacancies are shown to migrate on their own sublattice. The …
Deep levels created by low energy electron irradiation in 4H-SiC
L Storasta, JP Bergman, E Janzén, A Henry… - Journal of applied …, 2004 - pubs.aip.org
With low energy electron irradiation in the 80–250 keV range, we were able to create only
those intrinsic defects related to the initial displacements of carbon atoms in the silicon …
those intrinsic defects related to the initial displacements of carbon atoms in the silicon …
Electrically active defects in n-type 4H–silicon carbide grown in a vertical hot-wall reactor
J Zhang, L Storasta, JP Bergman, NT Son… - Journal of Applied …, 2003 - pubs.aip.org
We have studied intrinsic and impurity related defects in silicon carbide (SiC) epilayers
grown with fast epitaxy using chemical vapor deposition in a vertical hot-wall reactor. Using …
grown with fast epitaxy using chemical vapor deposition in a vertical hot-wall reactor. Using …
Ab initio study of the annealing of vacancies and interstitials in cubic SiC: Vacancy-interstitial recombination and aggregation of carbon interstitials
M Bockstedte, A Mattausch, O Pankratov - Physical Review B, 2004 - APS
The annealing kinetics of mobile intrinsic defects in cubic SiC is investigated by an ab initio
method based on density-functional theory. The interstitial-vacancy recombination, the …
method based on density-functional theory. The interstitial-vacancy recombination, the …
Conversion pathways of primary defects by annealing in proton-irradiated -type -SiC
The development of defect populations after proton irradiation of n-type 4 H-SiC and
subsequent annealing experiments is studied by means of deep level transient (DLTS) and …
subsequent annealing experiments is studied by means of deep level transient (DLTS) and …
Native point defects and carbon clusters in 4H-SiC: A hybrid functional study
We report first-principles calculations that clarify the formation energies and charge
transition levels of native point defects and carbon clusters in the 4H polytype of silicon …
transition levels of native point defects and carbon clusters in the 4H polytype of silicon …
Investigation of deep levels in n-type 4H-SiC epilayers irradiated with low-energy electrons
K Danno, T Kimoto - Journal of Applied Physics, 2006 - pubs.aip.org
Deep levels in n-type 4H-SiC epilayers have been investigated by deep level transient
spectroscopy (DLTS). The Z 1∕ 2 and EH 6∕ 7 centers are dominant in as-grown samples …
spectroscopy (DLTS). The Z 1∕ 2 and EH 6∕ 7 centers are dominant in as-grown samples …
Donor and acceptor states in diamond
We present the results of density functional calculations of donor and acceptor
characteristics of defects in diamond. We compare different computational approaches and …
characteristics of defects in diamond. We compare different computational approaches and …