Nonrad: Computing nonradiative capture coefficients from first principles

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

(2016) Darshana Wickramaratne et al.   APPLIED PHYSICS LETTERS

Tutorial: Defects in semiconductors—Combining experiment and theory

(2016) Audrius Alkauskas et al.   JOURNAL OF APPLIED PHYSICS

Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections

(2015) Georgios D. Barmparis et al.   PHYSICAL REVIEW B

First-principles theory of nonradiative carrier capture via multiphonon emission

(2014) Audrius Alkauskas et al.   PHYSICAL REVIEW B

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Electrostatic interactions between charged defects in supercells

(2010) Christoph Freysoldt et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS