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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 |
| 1999 | Ab initio and semiempirical calculations of H- centers in MgO crystals | Kuklja, MM; Stefanovich, EV; Kotomin, EA; Popov, AI; Gonzalez, R; Chen, Y |
| 2004 | Ab initio calculations of copper nanostructures on MgO substrate | Sychev, O; Zhukovskii, YF; Kotomin, EA; 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 |
| 2000 | Ab initio modeling of metal adhesion on oxide surfaces with defects | Zhukovskii, YF; Kotomin, EA; Jacobs, PWM; Stoneham, AM |
| 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 |
| 2005 | Ab initio thermodynamics of BacSr(1-c)TiO3 solid solutions | Fuks, D; Dorfman, S; Piskunov, S; Kotomin, EA |
| 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 |
| 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 |
| 2000 | Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations | Heifets, E; Kotomin, EA |
| 2001 | Calculation of the effective diffusion coefficient in inhomogeneous solids | Kalnin, JR; Kotomin, EA; Kuzovkov, VN |
| 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 |
| 1999 | Comparative theoretical study of the Ag-MgO (100) and (110) interfaces | Zhukovskii, YF; Kotomin, EA; Jacobs, PWM; Stoneham, AM; Harding, JH |
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