Crystal growth and defect study of BiSbTe<sub>3</sub>

Desai, C. F.; Dhar, S.

doi:10.1080/095008300403585

Cited by 2 publications

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“…While the structural properties of Bi 1Ϫx Sb x Te 3 29 and BiSbTe 3 30 have been studied previously, close inspection of the conduction and valence band extrema degeneracies or band gaps so far has not. Before the addition of the p 1/2 corrections, the band structure shows that the Bi 6p and Sb 5p states are already split at a conduction band local minimum along ZF, while they are not split to form the conduction-band minimum along ⌫Z ͓Fig.…”

Section: Resultsmentioning

confidence: 99%

Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
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Unlike other relativistic corrections to the Schrödinger equation, such as the Darwin, mass-velocity, and spin-orbit interactions ͑SOI͒, the p 1/2 corrections do not arise from expansion of the relativistic Dirac equation. Rather, these corrections relate to the way in which the p-orbital wave functions are expanded in density functional calculations with SOI. A test of this correction is necessary in a strongly bonded system which has significant SOI effects, such as Bi 2 Te 3 . Previous electronic structure calculations of Bi 2 Te 3 have disagreed about the position of the conduction band minimum ͑CBM͒. While de Haas-van Alphen experiments find the CBM to have sixfold degeneracy, most previous calculations have found this minimum to lie at a twofold degenerate point. A recent paper found the correct degeneracy, but was unable to explain the difference in their and previous results. We find the correct degeneracy by taking into account the p 1/2 corrections, which shifts the minimum from a twofold degenerate point to a sixfold degenerate point and is necessary for the correct degeneracy of the valence band as well. The p 1/2 corrections for the Sb 5p states are much weaker, explaining the electronic structure results in the related compounds Sb

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Section: Resultsmentioning

confidence: 99%

Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
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Effect of excess tellurium on optical and thermoelectric properties of Sb2Te3 crystals

Dhar¹,

Desai²

2018

Microscopy of Semiconducting Materials 2003

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Crystal growth and defect study of BiSbTe₃

Cited by 2 publications

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Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
View full text Add to dashboard Cite

Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
View full text Add to dashboard Cite

Effect of excess tellurium on optical and thermoelectric properties of Sb2Te3 crystals

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Crystal growth and defect study of BiSbTe3

Cited by 2 publications

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Effect ofp1/2corrections in the electronic structure ofBi2Larson1 2003Phys. Rev. B539280View full textAdd to dashboardCite

Effect ofp1/2corrections in the electronic structure ofBi2Larson1 2003Phys. Rev. B539280View full textAdd to dashboardCite

Effect of excess tellurium on optical and thermoelectric properties of Sb2Te3 crystals

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About

Crystal growth and defect study of BiSbTe₃

Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
View full text Add to dashboard Cite

Effect ofp1/2corrections in the electronic structure ofBi2
Larson
¹

2003
Phys. Rev. B
53
9
28
0
View full text Add to dashboard Cite