Mulakaluri, Narasimham, Pentcheva, Rossitza, Wieland, Maria, Moritz, Wolfgang, Scheffler, Matthias
The interaction of water with Fe$_3$O$_4$(001) is studied by density functional theory (DFT) calculations including an on-site Coulomb term. For isolated molecules dissociative adsorption is strongly...
Nabi, Hasan Sadat, Pentcheva, Rossitza
Based on density functional theory (DFT) calculations including an on-site Hubbard $U$ term we investigate the effect of substrate-induced strain on the properties of ferrimagnetic...
First principles study of magnetism in divalent Eu perovskites (2009)
Ranjan, Rajeev, Nabi, Hasan Sadat, Pentcheva, Rossitza
A comparative first principles study has been carried out for EuLiH3 (ELH) and EuTiO3 (ETO) using the generalized gradient approximation +U approach. While ELH exhibits ferromagnetic ground state for...
Pentcheva, Rossitza, Narasimham, Mulakaluri, Moritz, Wolfgang, Pickett, Warren E., Kleinhenz, Hans-Georg, Scheffler, Matthias
The valence discontinuity at transitionmetal oxide surfaces and interfaces can lead to properties and functionality that are not observed in the respective bulk phases. In this contribution we give...
Interface magnetism in Fe2O3/FeTiO3-heterostructures (2008)
Pentcheva, Rossitza, Nabi, Hasan Sadat
To resolve the microscopic origin of magnetism in the Fe2O3/FeTiO3-system, we have performed density functional theory calculations taking into account on-site Coulomb repulsion. By varying...
A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(0 0 1) (2008)
Pentcheva, Rossitza, Moritz, W., Rundgren, J., Frank, S., Schrupp, D., Scheffler, Matthias
A combination of density functional theory (DFT) calculations and low energy electron diffraction (LEED) analysis is used to determine the surface structure of Fe3O4 (100). We find that the surface...
Spin-resolved photoelectron spectroscopy of Fe3O4revisited (2008)
Fonin, Mikhail, Dedkov, Yuriy S., Rüdiger, Ulrich, Güntherodt, Gernot, Pentcheva, Rossitza
Recently Tobin et al (2007 J. Phys.: Condens. Matter 19 315218) reported on the spin-resolved photoemission study of Fe3O4(001) films, claiming magnetite being a case against half-metallicity. In the...
Magnetite: a search for the half-metallic state (2007)
Fonin, Mikhail, Dedkov, Yuriy S., Pentcheva, Rossitza, Rüdiger, Ulrich, Güntherodt, Gernot
We present a detailed study of the spin-dependent electronic structure of thin epitaxial magnetite films of different crystallographic orientations. Using spin- and angle-resolved photoelectron...
Correlation-Driven Charge Order at a Mott Insulator - Band Insulator Digital Interface (2006)
Pentcheva, Rossitza, Pickett, Warren E.
To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory (LDA+U) to (n,m) multilayers, 1
Jahn-Teller stabilization of a "polar" metal oxide surface: Fe3O4(001) (2005)
Pentcheva,Rossitza, Wendler,F., Meyerheim,H. L., Moritz,W., Jedrecy,N., Scheffler,Matthias
Structure, energetics and properties of Fe3O4(001) from first principles (2005)
Pentcheva,Rossitza, Wagner,F., Moritz,W., Scheffler,Matthias
Structure, energetics and properties of Fe3O4(001) from first principles (2005)
Pentcheva, Rossitza, Wagner, F., Moritz, W., Scheffler, Matthias
Jahn-Teller stabilization of a "polar" metal oxide surface: Fe3O4(001) (2005)
Pentcheva, Rossitza, Wendler, F., Meyerheim, H. L., Moritz, W., Jedrecy, N., Scheffler, Matthias
Surface electronic structure of the Fe3O4(100) : Evidence of a half-metal to metal transition (2005)
Fonin, Michail, Pentcheva, Rossitza, Dedkov, Yuriy S., Sperlich, Martin, Vyalikh, Denis V., Scheffler, Matthias Robert, ...
In situ prepared Fe3O4(100) thin films were studied by means of scanning tunneling microscopy (STM) and spin-polarized photoelectron spectroscopy (SP-PES). The atomically resolved (2x2)R45° wavelike...
Non-Arrhenius behavior of the island density in metal heteroepitaxy: Co on Cu(001) (2003)
Pentcheva,Rossitza, Fichthorn,Kristen A., Scheffler,Matthias, Bernhard,T., Pfandzelter,Rupert, Winter,Helmut
Non-Arrhenius behavior of the island density in metal heteroepitaxy: Co on Cu(001) (2003)
Pentcheva, Rossitza, Fichthorn, Kristen A., Scheffler, Matthias, Bernhard, T., Pfandzelter, Rupert, Winter, Helmut
Island nucleation in metal thin-film growth (2002)
Fichthorn,Kristen A., Merrick,M. L., Pentcheva,Rossitza, Scheffler,Matthias
Island nucleation in metal thin-film growth (2002)
Fichthorn, Kristen A., Merrick, M. L., Pentcheva, Rossitza, Scheffler, Matthias
Theory of adsorption, diffusion, and growth of Cobalt on Cu(001) /--von Rossitza Pentcheva. (2000)
Thesis (doctoral) - Freie Universität, Berlin, 2000.