Funct. Mater. 2013; 20 (1): 97-102.
Modelling of periodic heterostructures based on tin and phosphorus chalcogenides
[1]Uzhgorod National University, 13 Kapitulna, 88000 Uzhgorod, Ukraine
[2]NanoTecCenter Weiz Forschungsgesellschaft mbH, Franz-Pichler-Strasse 32, A-8160 Weiz, Austria
In terms of tight-binding approximation and pseudopotential theory the following energy parameters for binary tin and phosphorus chalcogenides: band gap, electron affinity energy and energy position of Fermi level have been calculated. The effect of spin-orbit interaction, chemical bond polarity, d-states, and the intra-atomic Coulomb repulsion energy on the energy band parameters has been analyzed. Energy band diagrams for binary tin and phosphorus chalcogenides, as well as for periodic SnSe–PSe heterostructures dependent on the way of Fermi level determination have been given.
1. W.A.Harrison, Elementary Electronic Structure. World Scientific Publishing Co., New Jersey, London, Singapore (2004). http://dx.doi.org/10.1142/5432
2. W.A.Harrison, Theoretical Alchemy. Modelling Matter. World Scientific Publishing Co., New Jersey, London, Singapore (2010). http://dx.doi.org/10.1142/7868
3. N.D.Savchenko, A.B.Kondrat, T.N.Shchurova et al., in: Proc. Ukr. Vac. Soc. 8th Int. Symp. Thin Films in Electronics, Kharkiv, Ukraine (1997), p.262.
4. T.Shchurova, N.Savchenko, A.Spesivykh et al., Jap. J. Appl. Phys., 39, 334 (2000). http://dx.doi.org/10.7567/JJAPS.39S1.334
5. N.D.Savchenko, T.N.Shchurova, K.O.Popovych et al., Semicond. Phys., Quant. Electron. & Optoelectron., 7, 133 (2004).
6. T.Shchurova, N.Savchenko, V.M.Rubish et al., J. Optoelectron. and Adv. Mater., 7, 2021 (2005).
7. N.D.Savchenko, T.N.Shchurova, A.B.Kondrat et al., Surf. Interface Anal., 38, 448 (2006). http://dx.doi.org/10.1002/sia.2297
8. T.Shchurova, N.Savchenko, A.Kondrat et al., Photoelectronics, 17, 104 (2008).
9. A.G.Milnes, D.L.Feucht, Heterojunctions and Metal Semiconductor Junctions, Academic Press Inc., New York (1972).
10. S.B.Zhang, S.H.Wei, A.Zunger, Phys. Rev. B, 52, 13975 (1995). http://dx.doi.org/10.1103/PhysRevB.52.13975
11. I.Lefebvre, M.A.Szymanski, J.Olivier-Fourcade et al., Phys. Rev. B, 58, 1896 (1998). http://dx.doi.org/10.1103/PhysRevB.58.1896
12. Z.U.Borisova, Semiconductor Chalcogenide Glasses, Leningrad University Publ., Leningrad (1983) [in Russian].