Browsing by Author Borstel, G

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Issue DateTitleAuthor(s)
1998A comparative study of the atomic and electronic structure of F centers in ferroelectric KNbO3: Ab initio and semi-empirical calculationsKotomin, EA; Christensen, NE; Eglitis, RI; Borstel, G
2001A new phase in ferroelectric oxides: The phase of charge transfer vibronic excitonsVikhnin, VS; Eglitis, RI; Kapphan, SE; Kotomin, EA; Borstel, G
2004Ab initio calculations of copper nanostructures on MgO substrateSychev, O; Zhukovskii, YF; Kotomin, EA; Borstel, G
2005Ab initio calculations of the CaF2 electronic structure and F centersShi, H; Eglitis, RI; Borstel, G
2004Ab initio calculations of the SrTiO3 (110) polar surfaceHeifets, E; Goddard, WA; Kotomin, EA; Eglitis, RI; Borstel, G
2003Ab initio Hartree-Fock calculations of LaMnO3 (110) surfacesEvarestov, RA; Kotomin, EA; Heifets, E; Maier, J; Borstel, G
2005Ab initio modeling of copper adhesion on regular BaTiO3(001) surfacesZhukovskii, YF; Piskunov, S; Kotomin, EA; Sychev, O; Borstel, G
2001Ab initio modeling of surface structure for SrTiO3 perovskiteHeifets, E; Eglitis, RI; Kotomin, EA; Maier, J; Borstel, G
2000Ab initio structure and zone-center phonons in LiNbO3Caciuc, V; Postnikov, AV; Borstel, G
2004Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfacesEglitis, RI; Piskunov, S; Heifets, E; Kotomin, EA; Borstel, G
2004Adhesion trends and growth mode of ultra-thin copper films on MgOZhukovskii, YF; Kotomin, EA; Fuks, D; Dorfman, S; Stoneham, AM; Borstel, G
2005Adsorption and dissociation of water on relaxed alumina clusters: a first principles studyFernandez, EM; Eglitis, R; Borstel, G; Balbas, LC
2004Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio studyZhukovskii, YF; Kotomin, EA; Borstel, G
1999Atomistic calculations of (110) surface relaxation for perovskite titanatesHeifets, E; Kotomin, EA; Borstel, G
2004Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT studyPiskunov, S; Heifets, E; Eglitis, RI; Borstel, G
2002Calculations of radiation-induced point defects, polarons and excitons in ferroelectric perovskitesKotomin, EA; Maier, J; Eglitis, RI; Borstel, G
2002Computer modeling of point defects in perovskite crystalsEglitis, RI; Kotomin, EA; Borstel, G; Vikhnin, VS
2000Computer modeling of point defects, impurity self-ordering effects and surfaces in advanced perovskite ferroelectricsBorstel, G; Kotomin, EA; Eglitis, RI; Heifets, E
2004Computer modelling of point defects in ABO(3) perovskites and MgOEglitis, RI; Kotomin, EA; Borstel, G
1999Computer simulations of defects in Perovskite KNbO3 crystalsEglitis, RI; Kotomin, EA; Postnikov, AV; Christensen, NE; Korotin, MA; Borstel, G