We perform a thorough theoretical analysis of the band-offset problem at strained Si/Ge interfaces. The difference between the two materials is small enough to warrant a linear-response treatment: Owing to this feature, chemical and elastic effects can be studied independently. Our main finding is that the band offset is a bulk property, depending only upon the macroscopic strain present in the two materials far from the interface, and independent of any interface feature, such as abruptness, interface strain, or buckling. In agreement with previous work, our results also indicate that the strain variations affect only weakly the valence-band offset, when it is measured between the averages of the split manifolds in the two materials. Starting from these reference levels, simple band-structure effects are responsible for a rather large strain-induced tunability of the offset between the topmost valence states.

Valence-band offsets at strained Si/Ge interfaces / Colombo, L.; Resta, R.; Baroni, S.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - 44:11(1991), pp. 5572-5579. [10.1103/PhysRevB.44.5572]

Valence-band offsets at strained Si/Ge interfaces

Resta, R.;Baroni, S.
1991-01-01

Abstract

We perform a thorough theoretical analysis of the band-offset problem at strained Si/Ge interfaces. The difference between the two materials is small enough to warrant a linear-response treatment: Owing to this feature, chemical and elastic effects can be studied independently. Our main finding is that the band offset is a bulk property, depending only upon the macroscopic strain present in the two materials far from the interface, and independent of any interface feature, such as abruptness, interface strain, or buckling. In agreement with previous work, our results also indicate that the strain variations affect only weakly the valence-band offset, when it is measured between the averages of the split manifolds in the two materials. Starting from these reference levels, simple band-structure effects are responsible for a rather large strain-induced tunability of the offset between the topmost valence states.
1991
44
11
5572
5579
Colombo, L.; Resta, R.; Baroni, S.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/14907
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 182
  • ???jsp.display-item.citation.isi??? 181
social impact