Electronic structure of bismuth telluride quasi-two-dimensional crystal : A first principles study

• The electronic structures of atomically thin layers of bismuth telluride (Bi2Ti3) have been studied by using density functional theory. It is found that quintuple layers of Bi2Te3 are semiconductor with localized shallow bands. The weak covalent Bi-Te-2 interaction in quintuple layer allows to further exfoliate it to form bilayer and trilayer sheets. In the latter cases, the valence electrons cannot fully occupy all the valence bands and the sheets become metallic.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

TOTAL-ENERGY CALCULATIONS

WAVE BASIS-SET

TOPOLOGICAL INSULATORS

THERMOELECTRIC FIGURE

QUANTUM

SURFACE

BI2TE3

MERIT

Physics

Fysik

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)