Abstract
Phonon spectra of ultrathin (GaAs${)}_{\mathrm{n}}$(AlAs${)}_{\mathrm{n}}$ (001) superlattices are studied theoretically using linear-response density-functional techniques. Results are presented for n=1,2,3 superlattices, along with prototype supercell calculations aimed at simulating a completely disordered (alloy) as well as some partially disordered superlattices. Besides interfacial disorder, which modifies the effective confinement length of low-order longitudinal-optic phonons, we find that---in the ultrathin regime---some degree of cationic mixing must also affect inner planes in order to explain experimental findings.
Keywords
SuperlatticeCondensed matter physicsPhononSupercellMaterials scienceAb initioSpectral lineHeterojunctionAb initio quantum chemistry methodsOrder (exchange)PhysicsQuantum mechanicsMolecule
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Publication Info
- Year
- 1990
- Type
- article
- Volume
- 41
- Issue
- 6
- Pages
- 3870-3873
- Citations
- 119
- Access
- Closed
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Cite This
Stefano Baroni,
Paolo Giannozzi,
Elisa Molinari
(1990).
Phonon spectra of ultrathin GaAs/AlAs superlattices: An<i>ab initio</i>calculation.
Physical review. B, Condensed matter
, 41
(6)
, 3870-3873.
https://doi.org/10.1103/physrevb.41.3870
Identifiers
- DOI
- 10.1103/physrevb.41.3870