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Publications by Pentcheva, Rossitza

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Number of items: 49.

Journal article

Hufnagel, Alexander G.; Hajiyani, Hamidreza; Zhang, Siyuan; Li, Tong; Kasian, Olga; Gault, Baptiste; Breitbach, Benjamin; Bein, Thomas; Fattakhova-Rohlfing, Dina; Scheu, Christina; Pentcheva, Rossitza (2018): Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting-The Full Picture. In: Advanced Functional Materials, Vol. 28, No. 52, 1804472

Singh-Bhalla, Guneeta; Rossen, Pim B.; Palsson, Gunnar K.; Mecklenburg, Matthew; Orvis, Thomas; Das, Sujit; Tang, Yun-Long; Suresha, Jaganatha S.; Yi, Di; Dasgupta, Abhigyan; Doenning, David; Ruiz, Victor G.; Yadav, Ajay K.; Trassin, Morgan; Heron, John T.; Fadley, Charles S.; Pentcheva, Rossitza; Ravichandran, Jayakanth; Ramesh, Ramamoorthy (2018): Unexpected termination switching and polarity compensation in LaAlO3/SrTiO3 heterostructures. In: Physical Review Materials, Vol. 2, No. 11, 112001

Otte, Katrin; Schmahl, Wolfgang W.; Pentcheva, Rossitza (2013): DFT+U Study of Arsenate Adsorption on FeOOH Surfaces: Evidence for Competing Binding Mechanisms. In: Journal of Physical Chemistry C, Vol. 117, No. 30: pp. 15571-15582

Novotny, Z.; Mulakaluri, Narasimham; Edes, Z.; Schmid, M.; Pentcheva, Rossitza; Diebold, Ulrike; Parkinson, Gareth S. (2013): Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface. In: Physical Review B - Condensed Matter and Materials Physics, Vol. 87, No. 19 [PDF, 3MB]

Kendelewicz, T.; Kaya, S.; Newberg, J.T.; Bluhm, H.; Mulakaluri, Narasimham; Moritz, Wolfgang; Scheffler, Matthias; Nilsson, A.; Pentcheva, Rossitza; Brown Jr., G. E. (2013): X-ray photoemission and density functional theory study of the interaction of water vapor with the Fe3O4(001) surface at near-ambient conditions. In: Journal of Physical Chemistry C, Vol. 117, No. 6: pp. 2719-2733

Gray, A.X.; Minár, J.; Plucinski, L.; Huijben, M.; Bostwick, A.; Rotenberg, E.; Yang, S.-H.h; Braun, J.; Winkelmann, A.; Conti, G.; Eiteneer, D.; Rattanachata, A.; Greer, A.A.; Ciston, J.; Ophus, C.; Rijnders, G.; Blank, D. H. A.; Doennig, D.; Pentcheva, Rossitza; Kortright, J.B.; Schneider, C.M.; Ebert, H.; Fadley, C. S. (2013): Momentum-resolved electronic structure at a buried interface from soft X-ray standing-wave angle-resolved photoemission. In: EPL, Vol. 104, No. 1

Gleason, A.E.; Quiroga, C.E.; Suzuki, A.; Pentcheva, Rossitza; Mao, W.L. (2013): Symmetrization driven spin transition in ε-FeOOH at high pressure. In: Earth and Planetary Science Letters, Vol. 379: pp. 49-55

Doennig, D.; Pickett, Warren E.; Pentcheva, Rossitza (2013): Massive symmetry breaking in LaAlO3/SrTiO3(111) quantum wells: A three-orbital strongly correlated generalization of graphene. In: Physical Review Letters, Vol. 111, No. 12

Pentcheva, Rossitza; Arras, R.; Otte, Katrin; Ruiz, Victor G.; Pickett, Warren E. (2012): Termination control of electronic phases in oxide thin films and interfaces: LaAlO 3/SrTiO 3(001). In: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 370, No. 1977: pp. 4904-4926 [PDF, 1MB]

Otte, Katrin; Schmahl, Wolfgang W.; Pentcheva, Rossitza (2012): Density functional theory study of water adsorption on FeOOH surfaces. In: Surface Science, Vol. 606, No. 21-22: pp. 1623-1632

Mulakaluri, Narasimham; Pentcheva, Rossitza (2012): Hydrogen Adsorption and Site-Selective Reduction of the Fe3O4(001) Surface: Insights From First Principles. In: Journal of Physical Chemistry C, Vol. 116, No. 31: pp. 16447-16453

Arras, Remi; Ruiz, Victor G.; Pickett, Warren E.; Pentcheva, Rossitza (2012): Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contacts. In: Physical Review B, Vol. 85, No. 12

Otte, Katrin; Schmahl, Wolfgang W.; Pentcheva, Rossitza (2011): Sorption properties of FeOOH surfaces from first principles. In: Abstracts of Papers of the American Chemical Society, Vol. 241

Nabi, Hasan Sadat; Pentcheva, Rossitza (2011): Energetic stability and magnetic coupling in (Cr1-xFex)(2)O-3: Evidence for a ferrimagnetic ilmenite-type superlattice from first principles. In: Physical Review B, Vol. 83, No. 21

Koval, Y.; Chowdhury, F.; Jin, X.; Simsek, Y.; Lichtenberg, F.; Pentcheva, Rossitza; Müller, P. (2011): Resistive memory switching in layered oxides: A nB nO 3n+2 perovskite derivatives and Bi 2Sr 2CaCu 2O 8+δ high-T c superconductor. In: Physica Status Solidi (A) Applications and Materials Science, Vol. 208, No. 2: pp. 284-299

Freeland, J. W.; Liu, J.; Kareev, M.; Gray, B.; Kim, J.W.; Ryan, P.; Pentcheva, Rossitza; Chakhalian, J. (2011): Orbital control in strained ultra-thin LaNiO3/LaAlO3 superlattices. In: EPL, Vol. 96, No. 5

Blanca-Romero, Ariadna; Pentcheva, Rossitza (2011): Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices. In: Physical Review B, Vol. 84, No. 19

Mulakaluri, Narasimham; Pentcheva, Rossitza; Scheffler, Matthias (2010): Coverage-Dependent Adsorption Mode of Water on Fe3O4(001): Insights from First Principles Calculations. In: Journal of Physical Chemistry C, Vol. 114, No. 25: pp. 11148-11156

Nabi, Hasan Sadat; Harrison, Richard J.; Pentcheva, Rossitza (2010): Magnetic coupling parameters at an oxide-oxide interface from first principles: Fe2O3-FeTiO3. In: Physical Review B, Vol. 81, No. 21

Nabi, Hasan Sadat; Pentcheva, Rossitza; Ranjan, Rajeev (2010): Ab initio electronic structures of rhombohedral and cubic HgXO3 (X = Ti, Pb). In: Journal of Physics Condensed Matter, Vol. 22, No. 4

Pentcheva, Rossitza; Pickett, Warren E. (2010): Electronic phenomena at complex oxide interfaces: insights from first principles. In: Journal of Physics Condensed Matter, Vol. 22, No. 4

Pentcheva, Rossitza; Huijben, M.; Otte, Katrin; Pickett, Warren E.; Kleibeuker, J.E.; Huijben, J.; Boschker, H.; Kockmann, D.; Siemons, W.; Koster, G.; Zandvliet, H. J. W.; Rijnders, G.; Blank, D. H. A.; Hilgenkamp, H.; Brinkman, A. (2010): Parallel electron-hole bilayer conductivity from electronic interface reconstruction. In: Physical Review Letters, Vol. 104, No. 16

Parkinson, Gareth S.; Mulakaluri, Narasimham; Losovyj, Yaroslav; Jacobson, Peter; Pentcheva, Rossitza; Diebold, Ulrike (2010): Semiconductor-half metal transition at the Fe3O4(001) surface upon hydrogen adsorption. In: Physical Review B, Vol. 82, No. 12

Mulakaluri, Narasimham; Pentcheva, Rossitza; Wieland, Maria; Moritz, Wolfgang; Scheffler, Matthias (2009): Partial dissociation of water on Fe3O4(001): Adsorbate induced charge and orbital order. In: Physical Review Letters, Vol. 103, No. 17 [PDF, 1MB]

Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza (2009): First principles study of magnetism in divalent Eu perovskites. In: Journal of Applied Physics, Vol. 105, No. 5

Pentcheva, Rossitza; Pickett, Warren E. (2009): Avoiding the Polarization Catastrophe in LaAlO3 Overlayers on SrTiO3(001) through Polar Distortion. In: Physical Review Letters, Vol. 102, No. 10

Pentcheva, Rossitza (2009): Water adsorption on the Fe3O4(001)-surface: Evidence for lifting of the (root 2 x root 2)R45 degrees - reconstruction. In: Abstracts of Papers of the American Chemical Society, Vol. 237

Otte, Katrin; Pentcheva, Rossitza; Schmahl, Wolfgang W.; Rustad, James R. (2009): Pressure-induced structural and electronic transitions in FeOOH from first principles. In: Physical Review B, Vol. 80, No. 20

Otte, Katrin; Pentcheva, Rossitza; Schmahl, Wolfgang W.; Rustad, James R. (2009): First principles investigation of the FeOOH-polymorphs under pressure. In: Geochimica et Cosmochimica Acta, Vol. 73, No. 13: A980

Nabi, Hasan Sadat; Pentcheva, Rossitza (2009): Effect of strain on the stability and electronic properties of ferrimagnetic Fe2-xTixO3 heterostructures from correlated band theory. In: Journal of Applied Physics, Vol. 106, No. 7

Pentcheva, Rossitza; Pickett, Warren E. (2008): Ionic relaxation contribution to the electronic reconstruction at the n-type LaAlO(3)/SrTiO(3) interface. In: Physical Review B, Vol. 78, No. 20

Pentcheva, Rossitza; Nabi, Hasan Sadat (2008): Interface magnetism in Fe(2)O(3)/FeTiO(3) heterostructures. In: Physical Review B, Vol. 77, No. 17

Pentcheva, Rossitza; Moritz, Wolfgang; Rundgren, J.; Frank, S.; Schrupp, D.; Scheffler, Matthias (2008): A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(0 0 1). In: Surface Science, Vol. 602, No. 7: pp. 1299-1305

Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U.; Güntherodt, G. (2008): Spin-resolved photoelectron spectroscopy of Fe3O4 - Revisited. In: Journal of Physics Condensed Matter, Vol. 20, No. 14 [PDF, 345kB]

Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza (2007): Electronic structure and magnetism of EuTiO3: a first-principles study. In: Journal of Physics Condensed Matter, Vol. 19, No. 40

Pentcheva, Rossitza; Pickett, Warren E. (2007): Correlation-driven charge order at the interface between a Mott and a band insulator. In: Physical Review Letters, Vol. 99, No. 1

Hjorvarsson, Bjorgvin; Pentcheva, Rossitza; Zabel, Bader (2007): Modern growth problems and growth techniques. In: Springer Tracts in Modern Physics, Vol. 227: pp. 1-44

Fonin, M.; Dedkov, Yu. S.; Pentcheva, Rossitza; Rüdiger, U.; Güntherodt, G. (2007): Magnetite: A search for the half-metallic state. In: Journal of Physics Condensed Matter, Vol. 19, No. 31

Pentcheva, Rossitza; Pickett, Warren E. (2006): Charge localization or itineracy at LaAl O3 SrTi O3 interfaces: Hole polarons, oxygen vacancies, and mobile electrons. In: Physical Review B - Condensed Matter and Materials Physics, Vol. 74, No. 3

Pentcheva, Rossitza; Wendler, Frank; Meyerheim, Holger L.; Moritz, Wolfgang; Jedrecy, N.; Scheffler, Matthias (2005): Jahn-Teller stabilization of a \"Polar\" metal oxide surface: Fe3O4(001). In: Physical Review Letters, Vol. 94, No. 12 [PDF, 1MB]

Pentcheva, Rossitza (2005): Ab initio study of microscopic processes in the growth of Co on Cu(001). In: Applied Physics A: Materials Science and Processing, Vol. 80, No. 5: pp. 971-975

Fonin, M.; Pentcheva, Rossitza; Dedkov, Yu. S.; Sperlich, M.; Vyalikh, D.V.; Scheffler, Matthias; Rüdiger, U.; Güntherodt, G. (2005): Surface electronic structure of the Fe3O4(100): Evidence of a half-metal to metal transition. In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 10 [PDF, 849kB]

Pentcheva, Rossitza; Fichthorn, K. A.; Scheffler, Matthias; Bernhard, T.; Pfandzelter, R.; Winter, H. (2003): Non-Arrhenius behavior of the island density in metal heteroepitaxy: Co on Cu(001). In: Physical Review Letters, Vol. 90, No. 7: 076101/1-076101/4

Pentcheva, Rossitza; Scheffler, Matthias (2002): Initial adsorption of Co on Cu(001): A first-principles investigation. In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 15: pp. 1554181-15541811

Pentcheva, Rossitza; Scheffler, Matthias (2000): Stable and metastable structures of Co on Cu(001): An ab initio study. In: Physical Review B - Condensed Matter and Materials Physics, Vol. 61, No. 3: pp. 2211-2220

Nouvertné, F.; May, U.; Bamming, M.; Rampe, A.; Korte, U.; Güntherodt, G.; Pentcheva, Rossitza; Scheffler, Matthias (1999): Atomic exchange processes and bimodal initial growth of Co/Cu(001). In: Physical Review B - Condensed Matter and Materials Physics, Vol. 60, No. 20: pp. 14382-14386

Book Section

Nabi, Hasan Sadat; Pentcheva, Rossitza (2010): Origin of Interface Magnetism in Fe(2)O(3)/FeTiO(3) Heterostructures. In: Wagner, S.; Steinmetz, M.; Bode, A.; Muller, M. M. (eds.) : HIGH PERFORMANCE COMPUTING IN SCIENCE AND ENGINEERING, GARCHING/MUNICH 2009: TRANSACTIONS OF THE FOURTH JOINT HLRB AND KONWIHR REVIEW AND RESULTS WORKSHOP. pp. 565-574

Pentcheva, Rossitza; Mulakaluri, Narasimham; Moritz, Wolfgang; Pickett, Warren E.; Kleinhenz, Hans-Georg; Scheffler, Matthias (2009): Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study. In: Wagner, S.; Steinmetz, M.; Bode, A.; Brehm, M. (eds.) : High Performance Computing in Science and Engineering, Garch/Munich 2007. pp. 709-717

Hjorvarsson, Bjorgvin; Pentcheva, Rossitza (2008): Modern growth problems and growth techniques. In: Zabel, H.; Bader, S. D. (eds.) : Magnetic Heterostructures: Advances and Perspective in Spinstructures and Spintransport. Vol. 227. pp. 1-44

This list was generated on Sun Sep 22 08:49:57 2019 CEST.