Energetics and metastability of the silicon vacancy in cubic SiC

Evidence for a kinetic bias towards antisite formation in SiC nano-decomposition

(2010) G. Roma et al.   JOURNAL OF NUCLEAR MATERIALS

Electronic properties of interfaces and defects from many-body perturbation theory: Recent developments and applications

(2010) M. Giantomassi et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Many-Body Effects in the Excitation Spectrum of a Defect in SiC

(2010) Michel Bockstedte et al.   PHYSICAL REVIEW LETTERS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermal stability of irradiation-induced point defects in cubic silicon carbide

(2009) Jérémie Lefèvre et al.   JOURNAL OF APPLIED PHYSICS

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

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

Issues in first-principles calculations for defects in semiconductors and oxides

(2009) Risto M Nieminen   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Accurate prediction of defect properties in density functional supercell calculations

(2009) Stephan Lany et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

GWApproximation of the Many-Body Problem and Changes in the Particle Number

(2009) Fabien Bruneval   PHYSICAL REVIEW LETTERS

Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial

(2009) Patrick Rinke et al.   PHYSICAL REVIEW LETTERS

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Structural materials challenges for advanced reactor systems

(2008) P. Yvon et al.   JOURNAL OF NUCLEAR MATERIALS

AccurateGWself-energies in a plane-wave basis using only a few empty states: Towards large systems

(2008) Fabien Bruneval et al.   PHYSICAL REVIEW B