Репозиторий Евразийского национального университета имени Л.Н. Гумилева
Репозиторий Евразийского национального университета имени Л.Н. Гумилева
Репозиторий Евразийского национального университета имени Л.Н. Гумилева
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Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
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Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Thumbnail

Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide 

Platonenko, Alexander; Pankratov, Vladimir; Kotomin, Eugene A.; Dauletbekova, Alma; Popov, Anatoli I. (Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...

Евразийский национальный университет имени Л.Н. Гумилева | Научная библиотека | Contact Us
Яндекс.Метрика
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Dauletbekova, Alma (8)
Kotomin, Eugene A. (8)Pankratov, Vladimir (8)Platonenko, Alexander (8)Popov, Anatoli I. (8)Subject
alkali halides (8)
electronic structure (8)F-type centers (8)hole centers (8)Raman spectroscopy (8)vibrational properties (8)interstitial defects (7)KBr (7)KBr; interstitial defects (1)... View MoreDate Issued2024 (8)Has File(s)true (8)

Евразийский национальный университет имени Л.Н. Гумилева | Научная библиотека | Contact Us
Яндекс.Метрика
Научная библиотека | Contact Us