The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response
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چکیده
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the investigation of the relationship between type a and type b personalities and quality of translation
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The VN3H defect in diamond: a quantum-mechanical characterization.
The VN3H defect in diamond (a vacancy surrounded by three nitrogen and one carbon atoms, the latter being saturated by a hydrogen atom) is investigated quantum-mechanically by use of a periodic supercell approach, an all-electron Gaussian-type basis set, "hybrid" functionals of density functional theory, and the Crystal program. Three fully optimized structural models (supercells containing 32,...
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ژورنال
عنوان ژورنال: Carbon
سال: 2020
ISSN: 0008-6223
DOI: 10.1016/j.carbon.2019.12.031