Erscheinungsdatum | Titel | Autor(en) |
2008 | Ab initio calculations for SrF2 with F- and M-centers | Jia, R.; Shi, H.; Borstel, G. |
2007 | Ab initio calculations of H2O and O-2 adsorption on Al2O3 substrates | Fernandez, E. M.; Eglitis, R. I.; Borstel, G.; Balbas, L. C. |
2006 | Ab initio calculations of the BaF2 bulk and surface F centres | Shi, H.; Eglitis, R. I.; Borstel, G. |
2006 | Ab initio calculations of the BaTiO3 (100) and (110) surfaces | Eglitis, R. I.; Borstel, G.; Heifets, E.; Piskunov, S.; Kotomin, E. |
2007 | Ab initio calculations of the hydrogen centres in CaF2 and BaF2 | Shi, H.; Eglitis, R. I.; Borstel, G. |
2007 | Ab initio calculations of the oxygen-vacancy dipoles and M centers in CaF(2) | Shi, H.; Eglitis, R. I.; Borstel, G. |
2001 | Ab initio modeling of surface structure for SrTiO3 perovskite crystals | Heifets, E.; Eglitis, R.I.; Kotomin, E.A.; Maier, J.; Borstel, G. |
2002 | Calculations of atomic and electronic structure for (100) surfaces of SrTiO3 perovskite | Eglitis, R.I.; Heifets, E.; Kotomin, E.A.; Borstel, G. |
2002 | Calculations of the electronic and atomic structure and diffusion of point defects in KNbO3 perovskite crystals and relevant KTN solid solutions | Eglitis, R.I.; Kotomin, E.A.; Borstel, G. |
2000 | Chapter 3 – Electronic States on Metal Surfaces | Borstel, G. |
2001 | Computer modeling of luminescence in ABO3 perovskites | Eglitis, R.I.; Kotomin, E.A.; Borstel, G. |
2002 | Computer modeling of point defects, polarons, excitons and surfaces in perovskite ferroelectrics | Borstel, G.; Eglitis, R.I.; Kotomin, E.A.; Heifets, E. |
2000 | Computer modelling of KTN solid solutions | Borstel, G.; Eglitis, Roberts I.; Kotomin, Eugene A. |
2000 | Computer modelling of KTN solid solutions | Borstel, G.; Eglitis, R.I.; Kotomin, E.A. |
1992 | Electronic and atomic structure of simple-metal clusters: Beyond the spherical jellium model | Borstel, G.; Lammers, U.; Mañanes, A.; Alonso, Julio A. |
2006 | Electronic structure of highly ordered Sr 2 FeMoO 6 : XPS and XES studies | Kuepper, Karsten ; Kadiroglu, M.; Hesse, H.; Borstel, G.; Neumann, Martin; Postnikov, Andrei; Prince, Kevin C.; Matteucci, M.; Galakhov, V. R. |
1995 | Equilibrium ground state structure and phonon properties of pure and doped knb03 and kta03 | Postnikov, A.V.; Neumann, T.; Borstel, G. |
1998 | First-principles and semiempirical Hartree-Fock calculations for F centers in KNbO3 and Li impurities in KTaO3 | Eglitis, Roberts I.; Kotomin, Eugene A.; Postnikov, Andrei; Christensen, N. E.; Borstel, G. |
1997 | First-principles calculations for Fe impurities in KNbO3 | Postnikov, Andrei; Poteryaev, A. I.; Borstel, G. |
2008 | First-principles calculations of oxygen-vacancy dipoles and hydrogen impurities in SrF2 | Jia, R.; Shi, H.; Borstel, G. |