相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Germanium core-level shifts at Ge/GeO2 interfaces through hybrid functionals
Jan Felix Binder et al.
PHYSICAL REVIEW B (2012)
Finite-size supercell correction schemes for charged defect calculations
Hannu-Pekka Komsa et al.
PHYSICAL REVIEW B (2012)
Electrostatic interactions between charged defects in supercells
Christoph Freysoldt et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2011)
Charged dopants in semiconductor nanowires under partially periodic boundary conditions
Tzu-Liang Chan et al.
PHYSICAL REVIEW B (2011)
Understanding and correcting the spurious interactions in charged supercells
Samuel E. Taylor et al.
PHYSICAL REVIEW B (2011)
Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2 interface through hybrid functionals
Fabien Devynck et al.
PHYSICAL REVIEW B (2011)
Dangling-bond charge qubit on a silicon surface
Lucian Livadaru et al.
NEW JOURNAL OF PHYSICS (2010)
Color centers in NaCl by hybrid functionals
Wei Chen et al.
PHYSICAL REVIEW B (2010)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films
Christoph Freysoldt et al.
PHYSICAL REVIEW LETTERS (2009)
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
Christoph Freysoldt et al.
PHYSICAL REVIEW LETTERS (2009)
Electrostatics in periodic boundary conditions and real-space corrections
Ismaila Dabo et al.
PHYSICAL REVIEW B (2008)
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
Stephan Lany et al.
PHYSICAL REVIEW B (2008)
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
M Otani et al.
PHYSICAL REVIEW B (2006)
Scanning tunneling spectroscopy of Cl vacancies in NaCl films: Strong electron-phonon coupling in double-barrier tunneling junctions
J Repp et al.
PHYSICAL REVIEW LETTERS (2005)
Theory of atomic-scale dielectric permittivity at insulator interfaces
F Giustino et al.
PHYSICAL REVIEW B (2005)