Influence of Se vacancies on the electron energy spectrum transformation of 2H-NbSe₂

The results of density functional calculations of 2H-NbSe₂ electron energy spectrum with Se vacancies at various concentrations are presented in the article. It is found that volume of the hole-like Fermi surface tends to decrease with increasing concentration of the vacancies. At vacancy concentrat...

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Datum:2016
Hauptverfasser: Mamalui, A.A., Andreeva, O.N., Sinelnik, A.V.
Format: Artikel
Sprache:English
Veröffentlicht: НТК «Інститут монокристалів» НАН України 2016
Schriftenreihe:Functional Materials
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Online Zugang:http://dspace.nbuv.gov.ua/handle/123456789/121304
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Назва журналу:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Zitieren:Influence of Se vacancies on the electron energy spectrum transformation of 2H-NbSe₂ / A.A.Mamalui, O.N.Andreeva, A.V.Sinelnik // Functional Materials. — 2016. — Т. 23, № 3. — С. 357-363. — Бібліогр.: 24 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
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Zusammenfassung:The results of density functional calculations of 2H-NbSe₂ electron energy spectrum with Se vacancies at various concentrations are presented in the article. It is found that volume of the hole-like Fermi surface tends to decrease with increasing concentration of the vacancies. At vacancy concentrations corresponding to the beginning of the phase transition 2H-NbSe₂ -> 4H-NbSe₂ the disappearance of carrier group occurs, that is an electronic topological transition of order 2.5 takes place.