Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2interface through hybrid functionals

Identification of a major cause of endemically poor mobilities in SiC/SiO2 structures

(2011) Xiao Shen et al.   APPLIED PHYSICS LETTERS

Synchrotron x-ray photoelectron spectroscopy study on thermally grown SiO2/4H-SiC(0001) interface and its correlation with electrical properties

(2011) Heiji Watanabe et al.   APPLIED PHYSICS LETTERS

Understanding and correcting the spurious interactions in charged supercells

(2011) Samuel E. Taylor et al.   PHYSICAL REVIEW B

Assessing the accuracy of hybrid functionals in the determination of defect levels: Application to the As antisite in GaAs

(2011) Hannu-Pekka Komsa et al.   PHYSICAL REVIEW B

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

(2011) Audrius Alkauskas et al.   PHYSICAL REVIEW B

Defect levels of carbon-related defects at the SiC/SiO2interface from hybrid functionals

(2011) Fabien Devynck et al.   PHYSICAL REVIEW B

Formation of substoichiometric GeOx at the Ge–HfO2 interface

(2010) Peter Broqvist et al.   APPLIED PHYSICS LETTERS

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

(2010) Peter Broqvist et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

Defect levels through hybrid density functionals: Insights and applications

(2010) Audrius Alkauskas et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Charge transition levels of nitrogen dangling bonds atSi/SiO2interfaces: A first-principles study

(2010) Philipp Dahinden et al.   PHYSICAL REVIEW B

Erratum: Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels [Phys. Rev. B80, 085114 (2009)]

(2010) Peter Broqvist et al.   PHYSICAL REVIEW B

Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term

(2010) Hannu-Pekka Komsa et al.   PHYSICAL REVIEW B

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO2–HfO2 stack

(2009) Peter Broqvist et al.   JOURNAL OF APPLIED PHYSICS

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

(2009) Peter Broqvist et al.   PHYSICAL REVIEW B

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Band alignments and defect levels in Si–HfO2 gate stacks: Oxygen vacancy and Fermi-level pinning

(2008) Peter Broqvist et al.   APPLIED PHYSICS LETTERS

Ultrashallow defect states at SiO2∕4H–SiC interfaces

(2008) S. Dhar et al.   APPLIED PHYSICS LETTERS

Electron capture and emission properties of interface states in thermally oxidized and NO-annealed SiO2/4H-SiC

(2008) X. D. Chen et al.   JOURNAL OF APPLIED PHYSICS

Charge state of theO2molecule during silicon oxidation through hybrid functional calculations

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW B

Defect levels of dangling bonds in silicon and germanium through hybrid functionals

(2008) Peter Broqvist et al.   PHYSICAL REVIEW B

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS

Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS