MATHEMATICAL MODELLING AND FUNDAMENTAL PROPERTIES CALCULATION OF DISORDERED CONDENSED MEDIA
The Head of Direction - Yuri N. Shunin, Dr.Hab.Sc.Ing. (Phys&Math), Professor
Contributors and researchers:
Olgierd Dumbrajs, Dr.Sc.Ing., Professor; Yuris Roberts-Kalninsh, Dr.Sc.Ing., Professor; Alex Sokol, Dr.Sc.Ing.; Victor Gopeenko, Dr.Sc.Ing.; Chrisitina Hamroon, M.Sc.Ing.; Vitaly Kosarev, M.Sc.Ing.; Ilona Tihonova, M.Sc.Ing.; Cyril Budilov, B.Sc.Ing.; Vladislav Skokovsky, B.Sc.Ing.
Modelling of fundamental properties of the disordered solids is based on the solution of a number of physical problems such as statistical parameters of atomic structure, electronic structure calculations, phononic spectra calculation, a construction of potentials, total energy calculations of cluster fragments etc. The developed cluster approach for numerical investigations of disordered solids, based on the multiple scattering theory, cluster conception and effective medium model, has given the known results on the electronic structure of amorphous semiconductors. The main goal this work is the theoretical and numerical investigation of disordered semiconductors. A particular attention is paid to such factors as an electronic density of states, a phononic density of states, a total energy, a conductivity, a thermal conductivity etc..
From the practical point of view the main goal of the work is consisted in me creation of new perspective semiconductor materials and the prediction of their physical and chemical properties.
Basic Publications and Principal Works
- Shunin Yu.N., Shvarts K.K. (1986) Calculation of the Electronic Structure in Disordered Semiconductors. Phys.Stat.Sol.(b). Vol.135. 15-36.
- Shunin Yu.N., Shvarts K.K. (1991) Cluster Approach for Disordered Solids. Latv.J.phys.techn.Sci.No.3. 3-29.
- Shunin Yu.N. (1995) Elementary Excitation in Amorphous Solids Accompanying the Swift Heavy Ions Passages. Report on GSI seminar. 1995, March 27. (private communication)
- Shvarts K.K., Pirogov F.V., Shunin Yu.N., Teteris J.A. (1987) Photo-induced structural changes in amorphous chalcogenides. Cryst.Latt.Def. and Amorph.Mat..Vol.17.133-138.
- Shunin Yu.N., Tkatchenko S.O. (1994) Modeling of Fundamental of Properties of Disordered Condensed Matter Systems. 6th APPC/11th AIP CONGRESS,4-8 July 1994, 37p.
- Shunin Yu.,Schwartz K.,Trautmann C. (1996) Relaxation of elementary excitations and formation of defects along the path of heavy ions in solids. GSI-Report-96-03, Oktober,1-13.
- Shunin Yu.N. (1991) Modeling of atomic and electronic structures of disordered semiconductors.Dr.Sc.Habil.Thesis.Salaspils-Riga,94 p. (in Russian)
- Shunin Yu.N., Shvarts K.K. (1994) Electronic structure and conductivity of disordered binary semiconductors. Tech.Phys.Vol.39. 1025-1031.
- Shunin Yu.N. (1996) Elementary excitations and radiation defects in glassy metals induced by swift heavy ions. RAU Scientific Reports. Volume 1. 15-35
- Shunin Yu.N., Schwartz K.K. (1997) Correlation between electronic structure and atomic configurations in disordered solids. NATO ASI SERIES. Computer Modeling of Electronic and Atomic Processes in Solids. Space and Electronic Materials. Ed. R.C. Tennyson and A.E.Kiv .Kluwer Ac. Publ., Dodrecht, , 241-257
- RAU Scientific Reports, Volume 1 , 1996 Editors Yu. Shunin and I. Kabashkin. RAU,1997. 86 p.
- RAU Scientific Reports, Volume 2 , 1998 Editors Yu. Shunin and I. Kabashkin. RAU,1998. 91p.
- Shunin Yu.N. GRANT No. 93.197 REVIEWS 1991,1992, 1993, 1994, 1995; GRANT No.96.0023 1996, 1997, 1998, 1999) (Latvian, Russian, English)