Formation Energy and Electronic Structure of II-VI/IV Semiconductor Superlattices
C. Jędrzejek, J. Konior
Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków, Poland

and S. Kaprzyk
Institute of Physics and Nuclear Techniques, Technical University AGH, Al. Mickiewicza 30, 30-060 Kraków, Poland
Full Text PDF
We calculate formation energy and electronic structure of ultrathin (001)II-VI/IV semiconductor superlattices using the Korringa-Kohn-Rosto­ker all-electron method. Formation energies (∆H) are 2.18 eV for (Ge2)1(ZnSe)1 and 1.50 eV for (ZnS)1(Si2)1. The results of this work are significantly different from these by Ferraz and Srivastava who obtained ∆H = 0.88 eV for (001)(Ge2)1(ZnSe)1 and moreover the one-layer super-lattices are metallic, which confirms the results by Ohno and Ito. The large formation energies surely lead to interfacial instability.
DOI: 10.12693/APhysPolA.87.349
PACS numbers: 73.20.Dx