We present a very straightforward procedure to calculate the dynamical matrix of an extended-cell system, on the grounds of the force constants pertaining to a smaller unit cell. This method, outlined here for the first time, allows for a computer-operated construction of the dynamical matrix and has been applied to reconstructed surfaces [Si(111) 2 × 1], superlattices [(100)(GaAs)3/(AlAs)3] and mixed crystals [AlxGa1-xAs]. In the present work we briefly review the results that we have obtained and discuss to which extent the experimental features can be reproduced by a geometric folding of the original dynamics into the new Brillouin zone. © 1990.
Miglio, L., Colombo, L. (1990). Geometric construction of large dynamic matrices - applications to reconstructed surfaces, superlattices and mixed-crystals. SUPERLATTICES AND MICROSTRUCTURES, 7(2), 139-146 [10.1016/0749-6036(90)90127-S].
Geometric construction of large dynamic matrices - applications to reconstructed surfaces, superlattices and mixed-crystals
MIGLIO, LEONIDA;
1990
Abstract
We present a very straightforward procedure to calculate the dynamical matrix of an extended-cell system, on the grounds of the force constants pertaining to a smaller unit cell. This method, outlined here for the first time, allows for a computer-operated construction of the dynamical matrix and has been applied to reconstructed surfaces [Si(111) 2 × 1], superlattices [(100)(GaAs)3/(AlAs)3] and mixed crystals [AlxGa1-xAs]. In the present work we briefly review the results that we have obtained and discuss to which extent the experimental features can be reproduced by a geometric folding of the original dynamics into the new Brillouin zone. © 1990.
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