Germanium core-level shifts at Ge/GeO2interfaces through hybrid functionals

Erratum: “Band offsets at the Ge/GeO2 interface through hybrid density functionals” [Appl. Phys. Lett. 94, 141911 (2009)]

(2011) Peter Broqvist et al.   APPLIED PHYSICS LETTERS

Band offsets at Ge/GeO2 interfaces: Effect of different interfacial bonding patterns

(2011) Peter Broqvist et al.   MICROELECTRONIC ENGINEERING

Stability of valence alternation pairs across the substoichiometric region at Ge/GeO2 interfaces

(2011) Jan Felix Binder et al.   PHYSICA B-CONDENSED MATTER

Comparison between various finite-size supercell correction schemes for charged defect calculations

(2011) Hannu-Pekka Komsa et al.   PHYSICA B-CONDENSED MATTER

Understanding and correcting the spurious interactions in charged supercells

(2011) Samuel E. Taylor 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

Electron trapping in substoichiometric germanium oxide

(2010) Jan Felix Binder et al.   APPLIED PHYSICS LETTERS

Atomic structure, electronic structure, and band offsets at Ge:GeO:GeO2 interfaces

(2010) L. Lin et al.   APPLIED PHYSICS LETTERS

Electron density of states at Ge/oxide interfaces due to formation

(2010) Jan Felix Binder et al.   MICROELECTRONIC ENGINEERING

Defect levels through hybrid density functionals: Insights and applications

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

Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and density functional theory calculations

(2010) P. E. J. Eriksson et al.   PHYSICAL REVIEW B

Band offsets at the Ge/GeO2 interface through hybrid density functionals

(2009) Peter Broqvist et al.   APPLIED PHYSICS LETTERS

Morphology and defect properties of the Ge–GeO2 interface

(2009) L. Tsetseris et al.   APPLIED PHYSICS LETTERS

Impact of oxide defects on band offset at GeO2/Ge interface

(2009) M. Yang et al.   APPLIED PHYSICS LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First principles study of substoichiometric germanium oxides

(2009) Jan Felix Binder et al.   MICROELECTRONIC ENGINEERING

Atomistic model structure of the Ge(100)–GeO2 interface

(2009) Peter Broqvist et al.   MICROELECTRONIC ENGINEERING

Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory

(2009) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

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

Ge 3d core-level shifts at (100)Ge∕Ge(Hf)O2 interfaces: A first-principles investigation

(2008) G. Pourtois et al.   APPLIED PHYSICS LETTERS

Electronic structure of GeO2-passivated interfaces of (100)Ge with Al2O3 and HfO2

(2008) V. V. Afanas’ev et al.   APPLIED PHYSICS LETTERS

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

Electronic properties of (100)Ge/Ge(Hf)O2 interfaces: A first-principles study

(2008) M. Houssa et al.   SURFACE SCIENCE