Erscheinungsdatum | Titel | Autor(en) |
1998 | A comparative study of the atomic and electronic structure of F centers in ferroelectric KNbO3: Ab initio and semi-empirical calculations | Kotomin, EA; Christensen, NE; Eglitis, RI; Borstel, G |
2001 | A new phase in ferroelectric oxides: The phase of charge transfer vibronic excitons | Vikhnin, VS; Eglitis, RI; Kapphan, SE; Kotomin, EA; Borstel, G |
2005 | Ab initio calculations of the CaF2 electronic structure and F centers | Shi, H; Eglitis, RI; Borstel, G |
2004 | Ab initio calculations of the SrTiO3 (110) polar surface | Heifets, E; Goddard, WA; Kotomin, EA; Eglitis, RI; Borstel, G |
2001 | Ab initio modeling of surface structure for SrTiO3 perovskite | Heifets, E; Eglitis, RI; Kotomin, EA; Maier, J; Borstel, G |
2004 | Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces | Eglitis, RI; Piskunov, S; Heifets, E; Kotomin, EA; Borstel, G |
2004 | Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study | Piskunov, S; Heifets, E; Eglitis, RI; Borstel, G |
2002 | Calculations of radiation-induced point defects, polarons and excitons in ferroelectric perovskites | Kotomin, EA; Maier, J; Eglitis, RI; Borstel, G |
2001 | Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films | Kotomin, EA; Eglitis, RI; Maier, J; Heifets, E |
1997 | Charge distribution and optical properties of F+ and F centres in KNbO3 crystals | Kotomin, EA; Eglitis, RI; Popov, AI |
2002 | Charge transfer vibronic excitons in incipient ferroelectrics and related problems | Vikhnin, VS; Eglitis, RI; Kapphan, S |
2002 | Computer modeling of point defects in perovskite crystals | Eglitis, RI; Kotomin, EA; Borstel, G; Vikhnin, VS |
2000 | Computer modeling of point defects, impurity self-ordering effects and surfaces in advanced perovskite ferroelectrics | Borstel, G; Kotomin, EA; Eglitis, RI; Heifets, E |
2002 | Computer modelling of metal dissolution in the presence of aqueous electrolyte | Eglitis, RI; Philpott, MR |
2004 | Computer modelling of point defects in ABO(3) perovskites and MgO | Eglitis, RI; Kotomin, EA; Borstel, G |
1999 | Computer simulations of defects in Perovskite KNbO3 crystals | Eglitis, RI; Kotomin, EA; Postnikov, AV; Christensen, NE; Korotin, MA; Borstel, G |
2004 | Experimental and theoretical studies of polaron optical properties in KNbO3 perovskite | Grigorjeva, L; Millers, DK; Pankratov, V; Williams, RT; Eglitis, RI; Kotomin, EA; Borstel, G |
1999 | First-principles and semiempirical calculations for bound-hole polarons in KNbO3 | Kotomin, EA; Eglitis, RI; Postnikov, AV; Borstel, G; Christensen, NE |
1997 | First-principles and semiempirical calculations for F centers in KNbO3 | Eglitis, RI; Christensen, NE; Kotomin, EA; Postnikov, AV; Borstel, G |
2002 | First-principles calculations for SrTiO3(100) surface structure | Heifets, E; Eglitis, RI; Kotomin, EA; Maier, J; Borstel, G |