6533b86dfe1ef96bd12ca141

RESEARCH PRODUCT

Hybrid density functional calculations of hyperfine coupling tensor for hole-type defects in MgAl2O4

Eugene A. KotominAleksandr LushchikV. SeemanAnatoly I. PopovDenis GryaznovAlexander Platonenko

subject

Nuclear and High Energy PhysicsMaterials scienceMgAl2O4 (spinel)02 engineering and technologyType (model theory)engineering.material010402 general chemistry01 natural sciencesMolecular physicsResonance (particle physics)Spectral linelaw.inventionParamagnetismlaw:NATURAL SCIENCES:Physics [Research Subject Categories]TensorElectron paramagnetic resonanceInstrumentationHole-type defects (V-centres)Relaxation (NMR)Spinel021001 nanoscience & nanotechnology3. Good health0104 chemical sciencesHybrid DFT calculations (B3LYP)engineering0210 nano-technology

description

This work has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion application”. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

10.1016/j.nimb.2019.11.046http://dx.doi.org/10.1016/j.nimb.2019.11.046