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| Issue Date | Title | Author(s) |
| 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 |
| 2004 | Ab initio calculations of copper nanostructures on MgO substrate | Sychev, O; Zhukovskii, YF; 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 |
| 2003 | Ab initio Hartree-Fock calculations of LaMnO3 (110) surfaces | Evarestov, RA; Kotomin, EA; Heifets, E; Maier, J; Borstel, G |
| 2005 | Ab initio modeling of copper adhesion on regular BaTiO3(001) surfaces | Zhukovskii, YF; Piskunov, S; Kotomin, EA; Sychev, O; Borstel, G |
| 2001 | Ab initio modeling of surface structure for SrTiO3 perovskite | Heifets, E; Eglitis, RI; Kotomin, EA; Maier, J; Borstel, G |
| 2000 | Ab initio structure and zone-center phonons in LiNbO3 | Caciuc, V; Postnikov, AV; 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 | Adhesion trends and growth mode of ultra-thin copper films on MgO | Zhukovskii, YF; Kotomin, EA; Fuks, D; Dorfman, S; Stoneham, AM; Borstel, G |
| 2005 | Adsorption and dissociation of water on relaxed alumina clusters: a first principles study | Fernandez, EM; Eglitis, R; Borstel, G; Balbas, LC |
| 2004 | Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study | Zhukovskii, YF; Kotomin, EA; Borstel, G |
| 1999 | Atomistic calculations of (110) surface relaxation for perovskite titanates | 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 |
| 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 |
| 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 |
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