Time-dependent density functional study on the excitation spectrum of point defects in semiconductors

The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations

(2010) Márton Vörös et al.   APPLIED PHYSICS LETTERS

Accurate defect levels obtained from the HSE06 range-separated hybrid functional

(2010) Peter Deák et al.   PHYSICAL REVIEW B

Excited states of the negatively charged nitrogen-vacancy color center in diamond

(2010) Yuchen Ma et al.   PHYSICAL REVIEW B

Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals

(2010) S. J. Clark et al.   PHYSICAL REVIEW B

Why nitrogen cannot lead to p-type conductivity in ZnO

(2009) J. L. Lyons et al.   APPLIED PHYSICS LETTERS

Quantum Chemical Modeling of Photoabsorption Properties of Two- and Three-Nitrogen Vacancy Point Defects in Diamond

(2009) A. S. Zyubin et al.   Journal of Physical Chemistry C

Vibrational properties of impurities in semiconductors

(2009) S K Estreicher et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Optical absorption of diamond nanocrystals fromab initiodensity-functional calculations

(2009) Márton Vörös et al.   PHYSICAL REVIEW B

Theory of Spin-Conserving Excitation of theN−V−Center in Diamond

(2009) Adam Gali et al.   PHYSICAL REVIEW LETTERS

Repetitive Readout of a Single Electronic Spin via Quantum Logic with Nuclear Spin Ancillae

(2009) L. Jiang et al.   SCIENCE

Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond

(2008) A. S. Zyubin et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

(2008) Fumiyasu Oba et al.   PHYSICAL REVIEW B

Electronic structure of the nitrogen-vacancy center in diamond from first-principles theory

(2008) J. A. Larsson et al.   PHYSICAL REVIEW B

Ab initiosupercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors

(2008) Adam Gali et al.   PHYSICAL REVIEW B

Dielectric properties and excitons for extended systems from hybrid functionals

(2008) Joachim Paier et al.   PHYSICAL REVIEW B