Abstract
We report calculations which show that the band structure of ${\mathrm{CoSb}}_{3}$ is typical of a narrow-band-gap semiconductor. The gap is strongly dependent on the relative position of the Sb atoms inside the unit cell. We obtain a band gap of 0.22 eV after minimization of these positions. This value is more than four times larger than the result of a previous calculation, which reported that the energy bands near the Fermi surface are unusual. The electronic states close to the Fermi level are properly described by a two-band Kane model. The calculated effective masses and band gap are in excellent agreement with Shubnikov--de Haas and Hall effect measurements. Recent measurements of the transport coefficients of this compound can be understood assuming it is a narrow-band-gap semiconductor, in agreement with our results.
Keywords
Band gapPhysicsSemimetalFermi levelElectronic band structureSemiconductorCondensed matter physicsAtomic physicsElectronNuclear physicsQuantum mechanics
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Publication Info
- Year
- 1998
- Type
- article
- Volume
- 58
- Issue
- 23
- Pages
- 15620-15623
- Citations
- 192
- Access
- Closed
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Cite This
Jorge O. Sofo,
G. D. Mahan
(1998).
Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoSb</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>:</mml:mo></mml:math>A narrow-band-gap semiconductor.
Physical review. B, Condensed matter
, 58
(23)
, 15620-15623.
https://doi.org/10.1103/physrevb.58.15620
Identifiers
- DOI
- 10.1103/physrevb.58.15620