First principle calculation of Fe and Fe(1)/Fe(5)/Fe(1) Slab bcc DOS and band structure
2022
In this paper we consider to the band structure analysis and calculated exact number of density of states with VASP simulation approximation to Kohn-Sham equation. As main conclusion which we expected and got from the calculation for the system is simple structure without any SOC or external strong magnetic field, will never take such a big fluctation which can affect the magnetic properties of the simple Fe-bcc and layer system.
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Библиографическая информация
INSTITUTE OF MOLECULAR BIOLOGY & BIOTECHNOLOGIES TRANSACTIONS | INSTITUTE OF MOLECULAR BIOLOGY & BIOTECHNOLOGIES TRANSACTIONS
Том
VI
Выпуск
2, 2
Нумерация страниц
29
- 32
ISSN
2709-0752 | 2709-0744
Другие темы
Electronic properties; First principle ınvestigation
Язык
Английский
Примечание
Keywords: First principle ınvestigation, simulation, electronic properties
ISBN Международный стандартный книжный номер
2709-0752, 2709-0744
Тип
Journal Article; Journal Part
2023-07-24
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