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347 Publications


2012 | Journal Article | LibreCat-ID: 13548
@article{Thissen_Thissen_Wippermann_Chabal_Grundmeier_Schmidt_2012, title={pH-dependent structure and energetics of H2O/MgO(100)}, volume={606}, DOI={10.1016/j.susc.2012.01.018}, journal={Surface Science}, author={Thissen, Peter and Thissen, Vera and Wippermann, Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}, year={2012}, pages={902–907} }
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2012 | Journal Article | LibreCat-ID: 13560
@article{Hölscher_Sanna_Schmidt_2012, title={Adsorption of OH and H at the LiNbO3(0001) surface}, volume={9}, DOI={10.1002/pssc.201100534}, number={6}, journal={physica status solidi (c)}, author={Hölscher, R. and Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1361–1365} }
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2012 | Journal Article | LibreCat-ID: 13820
@article{Schmidt_Wippermann_Sanna_Babilon_Vollmers_Gerstmann_2012, title={In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition}, volume={249}, DOI={10.1002/pssb.201100457}, number={2}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero and Wippermann, S. and Sanna, S. and Babilon, M. and Vollmers, N. J. and Gerstmann, Uwe}, year={2012}, pages={343–359} }
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2012 | Journal Article | LibreCat-ID: 4136
@article{Zirkelbach_Stritzker_Nordlund_Schmidt_Rauls_Lindner_2012, title={First-principles and empirical potential simulation study of intrinsic and carbon-related defects in silicon}, volume={9}, DOI={10.1002/pssc.201200198}, number={10–11}, journal={physica status solidi (c)}, publisher={Wiley}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Schmidt, Wolf Gero and Rauls, E. and Lindner, Jörg K. N.}, year={2012}, pages={1968–1973} }
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2011 | Journal Article | LibreCat-ID: 13561
@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420}, DOI={10.1080/00150193.2011.594774}, journal={Ferroelectrics}, author={Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier, Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}, year={2011}, pages={44–48} }
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2011 | Journal Article | LibreCat-ID: 13563
@article{Schmidt_Babilon_Thierfelder_Sanna_Wippermann_2011, title={Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array}, volume={84}, DOI={10.1103/physrevb.84.115416}, number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Babilon, M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13564
@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects in ZnSe}, volume={84}, DOI={10.1103/physrevb.84.115201}, number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13565
@article{Müllegger_Schöfberger_Rashidi_Lengauer_Klappenberger_Diller_Kara_Barth_Rauls_Schmidt_et al._2011, title={Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System}, volume={5}, DOI={10.1021/nn201708c}, number={8}, journal={ACS Nano}, author={Müllegger, Stefan and Schöfberger, Wolfgang and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller, Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt, Wolf Gero and et al.}, year={2011}, pages={6480–6486} }
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2011 | Journal Article | LibreCat-ID: 13566
@article{Hoehne_Lu_Stegner_Stutzmann_Brandt_Rohrmüller_Schmidt_Gerstmann_2011, title={Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures}, volume={106}, DOI={10.1103/physrevlett.106.196101}, number={19}, journal={Physical Review Letters}, author={Hoehne, Felix and Lu, Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13567
@article{Konopka_Greulich-Weber_Dierolf_Jiang_Gerstmann_Rauls_Sanna_Schmidt_2011, title={Microscopic structure and energy transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors}, volume={33}, DOI={10.1016/j.optmat.2010.12.005}, journal={Optical Materials}, author={Konopka, A. and Greulich-Weber, S. and Dierolf, V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt, Wolf Gero}, year={2011}, pages={1041–1044} }
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2011 | Journal Article | LibreCat-ID: 13568
@article{Mietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011, title={Band offsets in cubic GaN/AlN superlattices}, volume={83}, DOI={10.1103/physrevb.83.195301}, number={19}, journal={Physical Review B}, author={Mietze, C. and Landmann, M. and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien, F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13569
@article{Favero_Ferraz_Schmidt_Miotto_2011, title={Driving forces for the adsorption of cyclopentene on InP(001)}, volume={605}, DOI={10.1016/j.susc.2011.01.027}, journal={Surface Science}, author={Favero, P.P. and Ferraz, A.C. and Schmidt, Wolf Gero and Miotto, R.}, year={2011}, pages={824–830} }
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2011 | Journal Article | LibreCat-ID: 13570
@article{Müllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011, title={Asymmetric saddling of single porphyrin molecules on Au(111)}, volume={83}, DOI={10.1103/physrevb.83.165416}, number={16}, journal={Physical Review B}, author={Müllegger, S. and Rashidi, M. and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger, W. and Koch, R.}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13571
@article{Thierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title={Methane adsorption on graphene from first principles including dispersion interaction}, volume={605}, DOI={10.1016/j.susc.2011.01.012}, journal={Surface Science}, author={Thierfelder, C. and Witte, M. and Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2011}, pages={746–749} }
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2011 | Journal Article | LibreCat-ID: 13823
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Vibrational properties of the LiNbO3 z-surfaces}, volume={58}, DOI={10.1109/tuffc.2011.2012}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Berth, G. and Hahn, W. and Widhalm, A. and Zrenner, A. and Schmidt, Wolf Gero}, year={2011}, pages={1751–1756} }
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2011 | Journal Article | LibreCat-ID: 13824
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2011, title={Combined ab initio and classical potential simulation study on silicon carbide precipitation in silicon}, volume={84}, DOI={10.1103/physrevb.84.064126}, number={6}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 13825
@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium titanate ground- and excited-state properties from first-principles calculations}, volume={83}, DOI={10.1103/physrevb.83.054112}, number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C. and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }
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2011 | Journal Article | LibreCat-ID: 4543
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, Wolf Gero}, year={2011}, pages={1–8} }
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2010 | Journal Article | LibreCat-ID: 13573
@article{Thierfelder_Sanna_Schindlmayr_Schmidt_2010, title={Do we know the band gap of lithium niobate?}, volume={7}, DOI={10.1002/pssc.200982473}, number={2}, journal={Physica Status Solidi C}, publisher={Wiley-VCH}, author={Thierfelder, Christian and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2010}, pages={362–365} }
LibreCat | Files available | DOI | WoS
 

2010 | Journal Article | LibreCat-ID: 13574
@article{Gerstmann_Rohrmüller_Mauri_Schmidt_2010, title={Ab initiog-tensor calculation for paramagnetic surface states: hydrogen adsorption at Si surfaces}, volume={7}, DOI={10.1002/pssc.200982462}, number={2}, journal={physica status solidi (c)}, author={Gerstmann, Uwe and Rohrmüller, M. and Mauri, F. and Schmidt, Wolf Gero}, year={2010}, pages={157–160} }
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2010 | Journal Article | LibreCat-ID: 13581
@article{Wippermann_Schmidt_Bechstedt_Chandola_Hinrichs_Gensch_Esser_Fleischer_McGilp_2010, title={Optical anisotropy of Si(111)-(4 × 1)/(8 × 2)-In nanowires calculated fromfirst-principles}, volume={7}, DOI={10.1002/pssc.200982413}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Fleischer, K. and McGilp, J. F.}, year={2010}, pages={133–136} }
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2010 | Journal Article | LibreCat-ID: 13656
@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010, title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={10.1103/physrevb.80.205205}, number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann, M. and Brandt, M. S.}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13826
@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={10.1021/jz101389u}, journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }
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2010 | Journal Article | LibreCat-ID: 13827
@article{Wippermann_Schmidt_2010, title={Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array}, volume={105}, DOI={10.1103/physrevlett.105.126102}, number={12}, journal={Physical Review Letters}, author={Wippermann, S. and Schmidt, Wolf Gero}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13828
@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2010, title={Defects in carbon implanted silicon calculated by classical potentials and first-principles methods}, volume={82}, DOI={10.1103/physrevb.82.094110}, number={9}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker, B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13829
@article{Krivosheeva_Sanna_Schmidt_2010, title={First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)}, volume={49}, DOI={10.1016/j.commatsci.2010.06.043}, number={4}, journal={Computational Materials Science}, author={Krivosheeva, A.V. and Sanna, S. and Schmidt, Wolf Gero}, year={2010}, pages={895–898} }
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2010 | Journal Article | LibreCat-ID: 13830
@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth plane from first principles}, volume={312}, DOI={10.1016/j.jcrysgro.2010.07.027}, journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt, Wolf Gero}, year={2010}, pages={2892–2895} }
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2010 | Journal Article | LibreCat-ID: 13831
@article{Speiser_Chandola_Hinrichs_Gensch_Cobet_Wippermann_Schmidt_Bechstedt_Richter_Fleischer_et al._2010, title={Metal-insulator transition in Si(111)-(4 × 1)/(8 × 2)-In studied by optical spectroscopy}, volume={247}, DOI={10.1002/pssb.200983961}, number={8}, journal={physica status solidi (b)}, author={Speiser, E. and Chandola, S. and Hinrichs, K. and Gensch, M. and Cobet, C. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Richter, W. and Fleischer, K. and et al.}, year={2010}, pages={2033–2039} }
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2010 | Journal Article | LibreCat-ID: 13832
@article{Thierfelder_Schmidt_2010, title={First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)}, volume={82}, DOI={10.1103/physrevb.82.115402}, number={11}, journal={Physical Review B}, author={Thierfelder, C. and Schmidt, Wolf Gero}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13833
@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory}, volume={81}, DOI={10.1103/physrevb.81.214116}, number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13834
@article{Sanna_Schmidt_2010, title={GaN/LiNbO3 (0001) interface formation calculated from first-principles}, volume={256}, DOI={10.1016/j.apsusc.2010.03.098}, journal={Applied Surface Science}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={5740–5743} }
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2010 | Journal Article | LibreCat-ID: 13835
@article{Scholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et al._2010, title={Magnetic characterization of conductance electrons in GaN}, volume={247}, DOI={10.1002/pssb.200983582}, number={7}, journal={physica status solidi (b)}, author={Scholle, A. and Greulich-Weber, S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al.}, year={2010}, pages={1728–1731} }
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2010 | Journal Article | LibreCat-ID: 13836
@article{Rauls_Blankenburg_Schmidt_2010, title={Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)}, volume={81}, DOI={10.1103/physrevb.81.125401}, number={12}, journal={Physical Review B}, author={Rauls, E. and Blankenburg, S. and Schmidt, Wolf Gero}, year={2010} }
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2010 | Journal Article | LibreCat-ID: 13837
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648}, DOI={10.4028/www.scientific.net/msf.645-648.403}, journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber, Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010}, pages={403–406} }
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2010 | Journal Article | LibreCat-ID: 13838
@article{Sanna_Schmidt_2010, title={GaN growth on LiNbO3 (0001) - a first-principles simulation}, volume={7}, DOI={10.1002/pssc.200983649}, number={7–8}, journal={physica status solidi (c)}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2010}, pages={2272–2274} }
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2010 | Journal Article | LibreCat-ID: 13839
@article{Blankenburg_Schmidt_2010, title={Temperature dependent stability of self-assembled molecular rows}, volume={7}, DOI={10.1002/pssc.200982460}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Schmidt, Wolf Gero}, year={2010}, pages={415–417} }
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2010 | Journal Article | LibreCat-ID: 13841
@article{Blankenburg_Rauls_Schmidt_2010, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={153–156} }
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2010 | Journal Article | LibreCat-ID: 13842
@article{Sanna_Gavrilenko_Schmidt_2010, title={Ab initio investigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2010}, pages={145–148} }
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2010 | Journal Article | LibreCat-ID: 13843
@article{Wippermann_Schmidt_Thissen_Grundmeier_2010, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, G.}, year={2010}, pages={137–140} }
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2009 | Journal Article | LibreCat-ID: 13576
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, DOI={10.1002/pssc.200982459}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
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2009 | Journal Article | LibreCat-ID: 13577
@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered molecular rows}, volume={7}, DOI={10.1002/pssc.200982459}, number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }
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2009 | Journal Article | LibreCat-ID: 13578
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, DOI={10.1002/pssc.200982456}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
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2009 | Journal Article | LibreCat-ID: 13579
@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of the LiNbO3(0001) surface}, volume={7}, DOI={10.1002/pssc.200982456}, number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }
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2009 | Journal Article | LibreCat-ID: 13580
@article{Wippermann_Schmidt_Thissen_Grundmeier_2009, title={Dissociative and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={10.1002/pssc.200982423}, number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt, Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2009}, pages={137–140} }
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2009 | Journal Article | LibreCat-ID: 13583
@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={10.1016/j.physb.2009.08.123}, journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber, S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744} }
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2009 | Journal Article | LibreCat-ID: 13655
@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption on the α-Al2O3(0001) surface}, volume={80}, DOI={10.1103/physrevb.80.245403}, number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier, G. and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }
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2009 | Journal Article | LibreCat-ID: 13657
@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect pairs in GaN: LDA+U calculations}, volume={80}, DOI={10.1103/physrevb.80.104120}, number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }
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2009 | Journal Article | LibreCat-ID: 13658
@article{Passmann_Favero_Schmidt_Miotto_Braun_Richter_Kneissl_Esser_Vogt_2009, title={Adsorption structure of cyclopentene on InP(001)(2×4)}, volume={80}, DOI={10.1103/physrevb.80.125303}, number={12}, journal={Physical Review B}, author={Passmann, Regina and Favero, Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter, Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick}, year={2009} }
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2009 | Journal Article | LibreCat-ID: 13659
@article{Blankenburg_Rauls_Schmidt_2009, title={Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures}, volume={113}, DOI={10.1021/jp902337p}, journal={The Journal of Physical Chemistry C}, author={Blankenburg, S. and Rauls, E. and Schmidt, Wolf Gero}, year={2009}, pages={12653–12657} }
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2009 | Journal Article | LibreCat-ID: 13660
@article{Chandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009, title={Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response}, volume={102}, DOI={10.1103/physrevlett.102.226805}, number={22}, journal={Physical Review Letters}, author={Chandola, S. and Hinrichs, K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and Bechstedt, F. and Fleischer, K. and McGilp, J. F.}, year={2009} }
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