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First‐principles study on atom order and stability of GaInS 3 (CdS) m natural superlattices
Author(s) -
Ishikawa Masato,
Nakayama Takashi
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200460704
Subject(s) - superlattice , atom (system on chip) , order (exchange) , electric field , semiconductor , condensed matter physics , materials science , chemistry , physics , optoelectronics , quantum mechanics , computer science , finance , economics , embedded system
Abstract GaInS 3 (CdS) m is the layered natural superlattice system made of the combination of II–VI and III–VI group semiconductors. Atom order of this system was investigated by using the first‐principles calculation. It was shown that the CdS layers are located inside the GaInS 3 layers when their thickness is small, m < 2, while they are located outside the GaInS 3 as their thickness increases, large than m = 2. This change of atom order occurs due to the electric field between GaS and InS layers and causes the band‐gap variation as a function of the CdS layer thickness. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)