Erscheinungsdatum | Titel | Autor(en) |
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. |
2011 | First-principles calculations of structural and electronic properties of Ta-doped Si clusters, wires, and bulk systems | Cantera-Lopez, H.; Balbas, L. C.; Borstel, G. |
2006 | First-principles calculations of the CaF2(111), (110), and (100) surface electronic and band structure | Eglitis, R. I.; Shi, H.; Borstel, G. |
2000 | First-Principles Simulation of Substitutional Defects in Perovskites | Postnikov, Andrei; Borstel, G.; Poteryaev, A. I.; Eglitis, Roberts I. |
1998 | LAPW vs. LMTO full-potential simulations and anharmonic dynamics of KNbO3 | Postnikov, A. V.; Borstel, G. |
2005 | Large scale computer modelling of point defects in ABO3 perovskites | Eglitis, R.I.; Kotomin, E.A.; Borstel, G. |
2002 | Large-scale ab initio simulations of Fe-doped SrTiO3 perovskites | Evarestov, R.A.; Eglitis, R.I.; Piskunov, S.; Kotomin, E.A.; Borstel, G. |
2002 | Large-Scale First-Principles Calculations of Fe-doped SrTiO3 | Piskunov, S.; Evarestov, R.A.; Kotomin, E.A.; Eglitis, R.I.; Borstel, G. |
1995 | Movement of the interphase boundary in KNbO3 under pressure | Dorfman, S.; Fuks, D.; Gordon, A.; Postnikov, A.V.; Borstel, G. |
1994 | New developments in the theory of photoemission | Graβ, M.; Braun, J.; Borstel, G. |
2001 | New Polaronic-Type Excitons in Ferroelectric Oxides: INDO-Calculations and Experimental Manifestation | Vikhnin, Valentin S.; Eglitis, Roberts I.; Kotomin, Eugene A.; Kapphan, S. E.; Borstel, G. |
2000 | Quantum Mechanical Modelling of Pure and Defective KNbO3 Perovskites | Christensen, N. E.; Kotomin, Eugene A.; Eglitis, Roberts I.; Postnikov, Andrei; Borstel, G.; Novikov, Dmitri; Tinte, Silvia; Stachiotti, M. G.; Rodriguez, C. O. |
1997 | Refined Geometry and Frozen Phonons in KNbO3 | Postnikov, Andrei; Borstel, G. |
1999 | Relativistic Photoemission Theory for General Nonlocal Potentials | Meyer, Carola ; Potthoff, Michael; Nolting, Wolfgang; Borstel, G.; Braun, Jürgen |
1999 | Relativistic photoemission theory for general nonlocal potentials | Meyer, Carola ; Potthoff, Michael; Nolting, Wolfgang; Borstel, G.; Braun, Jürgen |