Quasiparticle electronic band structure of the alkali metal chalcogenides
The electronic energy band spectra of the alkali metal chalcogenides M₂A (M: Li, Na, K, Rb; A: O, S, Se, Te) have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Kohn-Sham single-particle states have been found in the GGA framework. Further, on the...
Збережено в:
| Дата: | 2015 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2015
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/154205 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Quasiparticle electronic band structure of the alkali metal chalcogenides / S.V. Syrotyuk, V.M. Shved // Condensed Matter Physics. — 2015. — Т. 18, № 3. — С. 33702: 1–8. — Бібліогр.: 16 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Резюме: | The electronic energy band spectra of the alkali metal chalcogenides M₂A (M: Li, Na, K, Rb; A: O, S, Se, Te) have been evaluated within the projector augmented waves (PAW) approach by means of the ABINIT code. The Kohn-Sham single-particle states have been found in the GGA framework. Further, on the basis of these results the quasiparticle energies of electrons as well as the dielectric constants were obtained in the approximation GW. The calculations based on the Green's function have been originally done for all the considered M₂A crystals, except Li₂O. |
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