Publications

2019|2018|2017|2016|2015|2014|2013|2012|2011|2010 – …

2019

[164] E. Voloshina, Q. Guo, B. Paulus, S. Böttcher, H. Vita, K. Horn, C. Zhao, Y. Cui, and Yu. Dedkov, “Electronic structure and magnetic properties of the graphene/Ni₃Mn/Ni(111) trilayer”, J. Phys. Chem. C 123, 4994 (2019).
Link

[163] L. Schöttner, R. Ovcharenko, A. Nefedov, E. Voloshina, Y. Wang, J. Sauer, C. Wöll, “Interaction of water molecules with the α-Fe₂O₃(0001) surface: A combined experimental and computational study”, J. Phys. Chem. C (2019).
Link

2018

[162] E. N. Voloshina and Yu. S. Dedkov, “Realistic large-scale modeling of Rashba and induced spin-orbit effects in graphene/high-Z-metal systems”, Adv. Theory Simul. 1, 1800063 (2018).
☆ Cover page
Link

[161] J. Tesch, F. Paschke, M. Fonin, M. Wietstruk, S. Boettcher, R. Koch, A. Bostwick, C. Jozwiak, E. Rotenberg, A. Makarova, B. Paulus, E. Voloshina, and Yu. Dedkov, “The graphene/n-Ge(110) interface: structure, doping, and electronic properties”, Nanoscale 10, 6088 (2018).
Link

[160] S. Simon, E. Voloshina, J. Tesch, F. Förschner, V. Enenkel, C. Herbig, T. Knispel, A. Tries, J. Kröger, Yu. Dedkov, and M. Fonin, “Layer-by-layer decoupling of twisted graphene sheets epitaxially grown on a metal substrate”, Small 14, 1703701 (2018).
Link

[159] E. N. Voloshina, “Hematite, its stable surface terminations and their reactivity toward water”, in: Encyclopedia of interfacial chemistry: Surface science and electrochemistry, edited by K. Wandelt (Elsevier, 2018).
☆ Part of the Reference module in chemistry, molecular sciences and chemical engineering
Link

[158] Yu. S. Dedkov and E. N. Voloshina, “Graphene properties on metals”, in: Encyclopedia of interfacial chemistry: Surface science and electrochemistry, edited by K. Wandelt (Elsevier, 2018).
☆ Part of the Reference module in chemistry, molecular sciences and chemical engineering
Link

2017

[157] Yu. S. Dedkov and E. N. Voloshina, Comment on “Spin–Orbit Coupling Induced Gap in Graphene on Pt(111) with Intercalated Pb Monolayer”, ACS Nano 11, 10627 (2017).
Link

[156] Yu. S. Dedkov and E. N. Voloshina, “Spectroscopic and DFT studies of graphene intercalation systems on metals”, J. Electron. Spectrosc. Relat. Phenom. 219, 77 (2017).
☆ Special Issue: The electronic structure of 2D and layered materials
Link

[155] S. Boetcher, H. Vita, M. Weser, F. Bisti, Yu. Dedkov, and K. Horn, “Adsorption of water and ammonia on graphene: Evidence for chemisorption from X-ray absorption spectra”, J. Phys. Chem. Lett. 8, 3668 (2017).
Link

[154] J. Tesch, E. Voloshina, M. Fonin, Y. Dedkov, “Growth and electronic structure of graphene on semiconducting Ge(110)”, Carbon 122, 428 (2017).
Link

[153] Yu. Dedkov, W. Klesse, A. Becker, F. Späth, Ch. Papp, E. Voloshina, “Decoupling of graphene from Ni(111) via formation of an interfacial NiO layer”, Carbon, 121, 10 (2017).
Link

[152] J. Tesch, E. Voloshina, M. Jubitz, Yu. Dedkov, and M. Fonin, “Local electronic properties of the graphene-protected giant Rashba-split BiAg₂ surface”, Phys. Rev. B 95, 155428 (2017).
Link

2016

[151] J. Dabrowski, G. Lippert, J. Avila, J. Baringhaus, I. Colambo, Yu. S. Dedkov, F. Herziger, G. Lupina, J. Maultzsch, T. Schaffus, T. Schroeder, M. Kot, C. Tegenkamp, D. Vignaud, and M.-C. Asensio, “Understanding the growth mechanism of graphene on Ge/Si(001) surfaces”, Sci. Rep. 6, 31639 (2016).
Link

[150] R. Ovcharenko, E. Voloshina, and J. Sauer, “Water adsorption and O-defect formation on Fe₂O₃(0001) surfaces”, Phys. Chem. Chem. Phys. 18, 25560 (2016).
Link

[149] R. Ovcharenko, Yu. Dedkov, and E. Voloshina, “Adsorption of NO₂ on WSe₂: DFT and photoelectron spectroscopy studies”, J. Phys.: Condens. Matter 28, 364003 (2016).
☆ Special Issue: Interfaces and heterostructures of van der Waals materials
Link

[148] M. P. de Lara-Castells, R. Fernández-Perea, F. Madzharova, and E. Voloshina, “Post-Hartree-Fock studies of the He/Mg(0001) interaction: anti-corrugation, screening and pairwise additivity”, J. Chem. Phys. 144, 244707 (2016).
Link

[147] E. N. Voloshina and Yu. S. Dedkov, “Atomic force spectroscopy and density-functional study of graphene corrugation on Ru(0001)”, Phys. Rev. B 93, 235418 (2016).
Link

[146] A. A. Tonkikh, E. N. Voloshina, P. Werner, H. Blumtritt, B. Senkovskiy, G. Güntherodt, S. S. P. Parkin, and Yu. S. Dedkov, “Structural and electronic properties of epitaxial multilayer h-BN on Ni(111) for spintronics applications”, Sci. Rep. 6, 23547 (2016).
Link

[145] J. Tesch, P. Leicht, F. Blumenschein, L. Gragnaniello, M. Fonin, L. E. Marsoner Steinkasserer, B. Paulus, E. Voloshina, and Yu. Dedkov, “Structural and electronic properties of graphene nanoflakes on Au(111) and Ag(111)”, Sci. Rep. 6, 23439 (2016).
Link

[144] E. Voloshina, N. Berdunov, and Yu. Dedkov, “Restoring a nearly free-standing character of graphene on Ru(0001) by oxygen intercalation”, Sci. Rep. 6, 20285 (2016).
Link

2015

[143] Yu. S. Dedkov and E. N. Voloshina, “Graphene growth and properties on metal substrates”, J. Phys.: Condens. Matter 27, 303002 (2015).
☆ Topical Review
Link

[142] Yu. S. Dedkov, E. N. Voloshina, and M. Fonin, “Scanning probe microscopy and spectroscopy of graphene on metals”, Phys. Status Solidi B 252, 451 (2015).
☆ Feature Article
☆ Cover page
Link

[141] D. Mollenhauer, C. Brieger, E. Voloshina, and B. Paulus, “Performance of dispersion-corrected DFT for the weak interaction between aromatic molecules and extended carbon-based systems”, J. Phys. Chem. C 119, 1898 (2015).
Link

2014

[140] P. Stojanov, E. Voloshina, Yu. S. Dedkov, S. Schmitt, T. Haenke, and A. Thissen, “Graphene on Rh(111): Combined DFT, STM, and NC-AFM Studies”, Procedia Engineering 93, 8 (2014).
Link

[139] M. P. de Lara-Castells, H. Stoll, B. Civalleri, M. Causà, Elena Voloshina, A. O. Mitrushchenkov, and M. Pi, “A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of ⁴He nano droplets on surfaces: ⁴He/graphene”, J. Chem. Phys. 141, 151102 (2014).
☆ Communication
Link

[138] E. N. Voloshina and Yu. S. Dedkov, “General approach to understanding the electronic structure of graphene on metals”, Mater. Res. Express 1, 035603 (2014).
Link

[137] H. Vita, S. Boettcher, K. Horn, E. Voloshina, R. Ovcharenko, Th. Kampen, A. Thissen and Yu. S. Dedkov, “Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)”, Sci. Rep. 4, 5704 (2014).
Link

[136] E. N. Voloshina and Yu. S. Dedkov, “Electronic and magnetic properties of the graphene/Eu/Ni(111) hybrid system” Z. Naturforsch. 69a, 297 (2014).
☆ Dedicated to Professor Jörg Fleischhauer on the occasion of his 75th birthday
Link

[135] S.Torabi, L. Hammerschmidt, E. Voloshina, and B. Paulus, “Ab initio investigation of ground-state properties of group-12 fluorides”, Int. J. Quantum Chem. 114, 943 (2014).
Link

[134] P. Leicht, L. Zielke, S. Bouvron, R. Moroni, E. Voloshina, L. Hammerschmidt, Yu. S. Dedkov, and M. Fonin: “In situ fabrication of quasi-free-standing epitaxial graphene nanoflakes on gold”, ACS Nano 8, 3735 (2014).
Link

[133] E. Voloshina and B. Paulus, “First multireference correlation treatment of bulk metals”, J. Chem. Theory Comput. 10, 1698 (2014).
Link

[132] L. E. Marsoner Steinkasserer, B. Paulus, and E. Voloshina, “Impact of the metal substrate on the electronic structure of armchair graphene nanoribbons”, Chem. Phys. Lett. 597, 148 (2014).
Link

[131] L. Bignardi, T. Haarlammert, C. Winter, M. Montagnese, P. H. M. van Loosdrecht, E. Voloshina, P. Rudolf, and H. Zacharias, “Dual character of excited charge carriers in graphene on Ni(111)”, Phys. Rev. B 89, 075405 (2014).
Link

[130] Yu. S. Dedkov, “Spectroscopy and microscopy of graphene on metals: How surface science methods in combination with theory help to understand the properties of graphene-based layered systems”, Vakuum in Forschung und Praxis 26, 19 (2014).
☆ Feature Article
Link

[129] Yu. S. Dedkov and E. N. Voloshina: “Multichannel scanning probe microscopy and spectroscopy of graphene moiré structures”, Phys. Chem. Chem. Phys. 16, 3894 (2014).
☆ Perspective
Link

[128] R. E. Ovcharenko, I. I. Tupitsyn, E. P. Savinov, E. N. Voloshina, Yu. S. Dedkov, A. S. Shulakov, “Calculation of the x-ray emission K and L2,3 bands of metallic magnesium and aluminum with allowance for multi-electron effects”, J. Exp. Theor. Phys. 118, 11 (2014).
Link

[127] E. Fertitta, E. Voloshina, and B. Paulus, “Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT”, J. Comput. Chem. 35, 204 (2014).
Link

2013

[126] R. E. Ovcharenko, I. I. Tupitsyn, E. P. Savinov, E. N. Voloshina, Yu. S. Dedkov, B. Paulus, and A. S. Shulakov, “Specific many-electron effects in X-ray spectra of simple metals and graphene”, Phys. Chem. Chem. Phys. 15, 6749 (2013).
Link

[125] E. Voloshina, R. Ovcharenko, A. Shulakov, and Yu. S. Dedkov, “Theoretical description of X-ray absorption spectroscopy of the graphene-metal interfaces”, J. Chem. Phys. 138, 154706 (2013).
Link

[124] D. Mollenhauer, N. Gaston, E. Voloshina, and B. Paulus, “Interaction of pyridine derivatives with a gold (111) surface as a model for adsorption to large nanoparticles”, J. Phys. Chem. C 117, 4470 (2013).
Link

[123] E. N. Voloshina, E. Fertitta, A. Garhofer, F. Mittendorfer, M. Fonin, A. Thissen, and Yu. S. Dedkov, “Electronic structure and imaging contrast of graphene moire on metals”, Sci. Rep. 3, 1072 (2013).
Link

[122] A. V. Generalov, E. N. Voloshina, Yu. S. Dedkov, “Structural and electronic properties of graphene-based junctions for spin-filtering: The graphene/Al/Ni(111) intercalation-like system”, Appl. Surf. Sci. 267, 8 (2013).
Link

[121] D. Pacilé, Ph. Leicht, M. Papagno, P. M. Sheverdyaeva, P. Moras, C. Carbone, K. Krausert, L. Zielke, M. Fonin, Yu. S. Dedkov, F. Mittendorfer, J. Doppler, A. Garhofer, and J. Redinger, “Artificially lattice-mismatched graphene/metal interface: Graphene/Ni/Ir(111)”, Phys. Rev. B 87, 035420 (2013).
Link

2012

[120] E. Voloshina and Yu. S. Dedkov, “Graphene on metallic surfaces: problems and perspectives”, Phys. Chem. Chem. Phys. 14, 13502 (2012).
☆ Perspective
Link

[119] E. Voloshina, Yu. S. Dedkov, S. Torbrügge, A. Thissen, and M. Fonin, “Graphene on Rh(111): STM and AFM studies”, Appl. Phys. Lett. 100, 241606 (2012).
☆ The article was selected for the June 25, 2012 issue of Virtual Journal of Nanoscale Science & Technology.
Link

[118] E. Voloshina, “Local correlation method for metals: Benchmarks for surface and adsorption energies”, Phys. Rev. B 85, 045444 (2012).
Link

[117] J. Martinez-Blanco, A. Mascaraque, Yu. S. Dedkov, and K. Horn, “Ge(001) as a template for long-range assembly of π-stacked coronene rows”, Langmuir 28, 3840 (2012).
Link

[116] A. V. Generalov and Yu. S. Dedkov, “EELS study of the epitaxial graphene/Ni(111) and graphene/Au/Ni(111) systems”, Carbon 50, 183 (2012).
Link

[115] M. Sicot, Ph. Leicht, A. Zusan, S. Bouvron, O. Zander, M. Weser, Yu. S. Dedkov, K. Horn, and M. Fonin, “Size-selected epitaxial nanoislands underneath graphene moiré on Rh(111)”, ACS Nano 6, 151 (2012).
Link

[114] Yu. S. Dedkov, K. Horn, A. Preobrajenski, and M. Fonin, “Epitaxial Graphene on Metals”, in: Graphene Nanoelectronics, H. Raza (ed.), Springer, Berlin (2012).
ISBN 978-3-642-20467-8

2011

[113] E. Voloshina, A. Generalov, M. Weser, S. Böttcher, K. Horn, Yu. S. Dedkov, “Structural and electronic properties of the graphene/Al/Ni(111) intercalation system”, New J. Phys. 13, 113028 (2011).
Link

[112] E. Voloshina, D. Mollenhauer, L. Chiappisi, and B. Paulus, “Theoretical study on the adsorption of pyridine derivatives on graphene”, Chem. Phys. Lett. 510, 220 (2011).
Link

[111] E. Voloshina, D. Usvyat, M. Schütz, Yu. S. Dedkov, and B. Paulus, “On the physisorption of water on graphene: a CCSD(T) study”, Phys. Chem. Chem. Phys. 13, 12041 (2011).
☆The article was selected for the “Editors Choice: Theoretical and Computational Chemistry” collection.
Link

[110] Yu. S. Dedkov, A. Generalov, E. N. Voloshina, and M. Fonin, “Structural and electronic properties of Fe₃O₄/graphene/Ni(111) junctions”, Phys. Status Solidi RRL 5, 226 (2011).
Link

[109] D. Mollenhauer, J. Floß, H.-U. Reissig, E. Voloshina, and B. Paulus, “Accurate quantum-chemical description of gold complexes with pyridine and its derivatives”, J. Comput. Chem. 32, 1839 (2011).
Link

[108] M. Weser, E. N. Voloshina, K. Horn, Yu. S. Dedkov, “Electronic structure and magnetic properties of the graphene/Fe/Ni(111) intercalation-like system”, Phys. Chem. Chem. Phys. 13, 7534 (2011).
Link

[107] S. Böttcher, M. Weser, Yu. S. Dedkov, K. Horn, E. Voloshina, and B. Paulus, “Graphene on ferromagnetic surfaces and its functionalization with water and ammonia”, Nanoscale Res. Lett. 6, 214 (2011).
Link

[106] E. N. Voloshina and Yu. S. Dedkov, “Electronic and magnetic properties of the graphene- ferromagnet interfaces: theory vs. experiment”, in: Physics and Applications of Graphene, S. Mikhailov (ed.), INTECH Open, Vienna (2011); ISBN 978-953-307-217-3.
Link

2010

[105] D. Belger, Z. Hüsges, E. Voloshina and B. Paulus, “Role of electron correlations in the binding properties of Ca, Sr, and Ba”, J. Phys.: Condens. Matter 22, 275504 (2010).
Link

[104] E. Voloshina and B. Paulus, “Development of a wavefunction-based ab initio method for metals applying the method of increments”, Z. Phys. Chem. 224, 369 (2010).
Link

[103] Yu. S. Dedkov, E. N. Voloshina, and M. Richter, “Preparation and photoemission investigation of bulklike α-Mn films on W(110)”, Phys. Rev. B. 81, 085404 (2010).
☆ The article was selected for the February 15, 2010 issue of Virtual Journal of Nanoscale Science & Technology.
Link

[102] M. Weser, Y. Rehder, K. Horn, M. Sicot, M. Fonin, A. B. Preobrajenski, E. N. Voloshina, E. Goering, and Yu. S. Dedkov, “Induced magnetism of carbon atoms at the graphene/Ni(111) interface”, Appl. Phys. Lett. 96, 012504 (2010).
Link

[101] E. Voloshina and B. Paulus, “Development of a wavefunction-based ab initio method for metals applying the method of increments”, in: Progress in Physical Chemistry, Vol. 3, M. Dolg (ed.), Oldenbourg Wissenschaftsverlag GmbH, Muenchen, 2010; ISBN 9783486598278.

[100] Yu. S. Dedkov, D. V. Vyalikh, M. Weser, M. Holder, S.L. Molodtsov, C. Laubschat, Yu. Kucherenko, and M. Fonin, “Electronic structure of thin ytterbium layers on W(110): A photoemission study”, Surf. Sci. 604, 269 (2010).
Link

[99] M. Sicot, S. Bouvron, O. Zander, U. Rüdiger, Yu. S. Dedkov, and M. Fonin, “Nucleation and growth of nickel nanoclusters on graphene Moire on Rh(111)”, Appl. Phys. Lett. 96, 093115 (2010).
Link

[98] Yu. S. Dedkov and M. Fonin, “Electronic and magnetic properties of the graphene-ferromagnet interface”, New J. Phys. 12, 125004 (2010).
☆ Special Issue “Focus on Chemically Modified Graphene“
Link

[97] Yu. S. Dedkov, M. Sicot, and M. Fonin, “X-ray absorption and magnetic circular dichroism of graphene/Ni(111)”, J. Appl. Phys. 107, 09E121 (2010).
Link

2009

[96] E. Voloshina, K. Rosciszewski, and B. Paulus, “First-principles study of the connection between structure and electronic properties of gallium”, Phys. Rev. B 79, 045113 (2009).
Link

[95] S. L. Molodtsov, S. I. Fedoseenko, D. V. Vyalikh, I. E. Iossifov, R. Follath, S. A. Gorovikov, M. M. Brzhezinskaya, Yu. S. Dedkov, R. Pütner, J.-S. Schmidt, V. K. Adamchuk, W. Gudat, and G. Kaindl, “High-resolution Russian-German beamline at BESSY”, Appl. Phys. A 94, 501 (2009).
Link

[94] D. V. Vyalikh, V. V. Maslyuk, A. Blüer, A. Kade, K. Kummer, Yu. S. Dedkov, T. Bredow, I. Mertig, M. Mertig, and S. L. Molodtsov, “Charge transport in proteins probed by resonant photoemission”, Phys. Rev. Lett. 102, 098101 (2009).
Link

[93] Yu. S. Dedkov, M. Holder, G. Mayer, M. Fonin, and A. B. Preobrajenski, “Spin- resolved photoemission of a ferromagnetic Mn₅Ge₃(0001) epilayer on Ge(111)”, J. Appl. Phys. 105, 073909 (2009).
Link

[92] M. Holder, Yu. S. Dedkov, A. Kade, H. Rosner, W. Schnelle, A. Leithe-Jasper, R. Weihrich, and S. L. Molodtsov, “Photoemission study of electronic structure of the half-metallic ferromagnet Co₃Sn₂S₂“, Phys. Rev. B 79, 205116 (2009).
Link

[91] I. I. Pronin, M. V. Gomoyunova, D. E. Malygin, D. V. Vyalikh, Yu. S. Dedkov, and S. L. Molodtsov, “Magnetic-dichroism study of iron silicides formed at the Fe/Si(100) interface”, Appl. Phys. A 94, 467 (2009).
Link

[90] S. Voss, M. Fonin, L. Burova, M. Burgert, Yu. S. Dedkov, A. B. Preobrajenski, E. Goering, U. Groth, A. R. Kaul, and U. Ruediger, “Investigation of the stability of Mn₁₂ single molecule magnets”, Appl. Phys. A 94, 491 (2009).
Link

[89] V. M. Krikun, L. P Sadimenko, E. N. Voloshina, “Polarographic and spectrophotometric studies of the spiro[indolin-pyridobenzopyrane] complexes with the heavy metal ions”, Russ. J. Gen. Chem. 79, 1191 (2009).
Link

[88] E. Voloshina and B. Paulus, “Wavefunction-based ab initio correlation method for metals: Application of the incremental scheme to Be, Mg, Zn, Cd, and Hg”, in Book Series: Chemical Modelling: Applications and Theory (Specialist Periodical Reports), Vol. 6, M. Springborg (ed.), R.S.C., Cambridge, 2009; ISBN: 9781847558817.
Link

2008

[87] E. Voloshina and B. Paulus, “Cohesive properties of CeN and LaN from first principles”, J. Comp. Chem. 29, 2107 (2008).
Link

[86] E. Voloshina, B. Paulus, and H. Stoll, “Quantum-chemical approach to cohesive properties of metallic beryllium”, J. Phys.: Conf. Series 117, 012029 (2008).
Link

[85] Yu. S. Dedkov, S. L. Molodtsov, C. Laubschat, M. Fonin, U. Rüdiger, E. Voloshina, and Yu. Kucherenko, “Spin-resolved photoelectron spectroscopy of the rare earth/d-metal systems”, J. Mag. Mag. Mat. 320, e231 (2008).
Link

[84] V. M. Krikun, L. P. Sadimenko, E. N. Voloshina, N. A. Voloshin, and M. E. Kletskii, “A study of spiro[indoline-pyridobenzopyrans] by differential pulse voltammetry on a dropping mercury electrode and quantum chemistry”, Russ. J. Gen. Chem. 78, 662 (2008).
Link

[83] N. A. Voloshin, A. V. Chernyshev, S. O. Bezuglyi, A. V. Metelitsa, E. N. Voloshina, V. I. Minkin, “Spiropyrans and spirooxazines 4. Synthesis and spectral properties of 6′-halo-substituted spiro[indoline-2,2’-2H-pyrano[3,2-h]quinolines]”, Russ. Chem. Bull., Int. Ed. 57, 151 (2008).
Link

[82] Yu. S. Dedkov, M. Fonin, and C. Laubschat, “A possible source of spin-polarized electrons: The inert graphene/Ni(111) system”, Appl. Phys. Lett. 92, 052506 (2008).
Link

[81] M. Fonin, Yu. S. Dedkov, R. Pentcheva, U. Rüdiger, and G. Güntherodt, “Spin- resolved photoelectron spectroscopy of Fe₃O₄-revisited”, J. Phys.: Condens. Matter. 20, 142201 (2008).
Link

[80] D. S. Fedin, O. N. Granichin, Yu. S. Dedkov, and S. L. Molodtsov, “Method of measurements with random perturbation: Application in photoemission experiments”, Rev. Sci. Instrum. 79, 036103 (2008).
Link

[79] Yu. S. Dedkov, M. Fonin, U. Rüdiger, C. Laubschat, “Rashba effect in the graphene/Ni(111) system”, Phys. Rev. Lett. 100, 107602 (2008).
☆ Editors’ Suggestion
Link

[78] I. I. Pronin, M. V. Gomoyunova, D. E. Malygin, D. V. Vyalikh, Yu. S. Dedkov, and S. L. Molodtsov, “Magnetic liner dichroism in photoemission from an ultrathin iron silicide film”, Phys. Solid State 50, 553 (2008).
Link

[77] Yu. S. Dedkov, M. Fonin, U. Rüdiger, C. Laubschat, “Graphene-protected iron layer on Ni(111)”, Appl. Phys. Lett. 93, 022509 (2008).
Link

[76] Yu. S. Dedkov, D. V. Vyalikh, M. Holder, M. Weser, S. L. Molodtsov, C. Laubschat, Yu. Kucherenko, and M. Fonin, “Dispersion of 4f impurity states in photoemission spectra of Yb/W(110)”, Phys. Rev. B 78, 153404 (2008).
Link

[75] I. I. Pronin, M. V. Gomoyunova, D. E. Malygin, D. V. Vyalikh, Yu. S. Dedkov, and S. L. Molodtsov, “Magnetic ordering of the Fe/Si interface and its initial formation”, J. Appl. Phys. 104, 104914 (2008).
Link

[74] M. Fonin, G. Mayer, E. Biegger, N. Janssen, M. Beyer, T. Thomay, R. Bratschitsch, Yu. S. Dedkov, and U. Rüdiger, “Defect induced ferromagnetism in Co-doped ZnO thin films”, J. Phys.: Conf. Ser. 100, 042034 (2008).
Link

[73] M. Fonin, S. Voss, M. Burgert, Yu. S. Dedkov, U. Groth, and U. Rüdiger, “Scanning tunneling spectroscopy on Mn₁₂ single molecule magnets grafted on Au(111)”, J. Phys.: Conf. Ser. 100, 052070 (2008).
Link

[72] Yu. S. Dedkov, M. Holder, S. L. Molodtsov, and H. Rosner, “Electronic structure of shandite Co₃Sn₂S₂“, J. Phys.: Conf. Ser. 100, 072011 (2008).
Link

[71] Yu. S. Dedkov, D. V. Vyalikh, M. Fonin, Yu. Kucherenko, S. L. Molodtsov, and C. Laubschat, “k- and spin-dependent hybridization effects in Ce monolayer”, J. Phys.: Conf. Ser. 100, 072022 (2008).
Link

[70] Yu. S. Dedkov, D. V. Vyalikh, M. Holder, M. Weser, S. L. Molodtsov, C. Laubschat, Yu. Kucherenko, and M. Fonin, “Electronic structure of thin ytterbium layers on W(110)”, J. Phys.: Conf. Ser. 100, 072023 (2008).
Link

[69] Yu. S. Dedkov, C. Laubschat, S. Khmelevskyi, J. Redinger, P. Mohn, and M. Weinert, “Observation of ferromagnetic surface of paramagnetic YCo₂“, J. Phys.: Conf. Ser. 100, 072028 (2008).
Link

[68] Yu. S. Dedkov, “Evidence for the short-period oscillations in spin-resolved photoemission of thin Cr(110) films”, J. Phys.: Conf. Ser. 100, 072029 (2008).
Link

2007

[67] E. Voloshina and B. Paulus, “Correlation energies for small Mg-clusters in comparison to bulk magnesium”, Mol. Phys. 105, 2849 (2007).
Link

[66] S. Voss, M. Fonin, U. Rüdiger, M. Burgert, U. Groth, and Yu. S. Dedkov, “Electronic structure of Mn₁₂ derivatives on the clean and functionalized Au surface”, Phys. Rev. B 75, 045102 (2007).
Link

[65] Yu. S. Dedkov and M. Fonin, “Preparation of the subnanometer thick epitaxial Al₂O₃(0001) layers on Fe(110) for magnetic tunnel junctions”, Appl. Surf. Sci. 253, 3860 (2007).
Link

[64] E. Biegger, M. Fonin, U. Rüdiger, N. Janssen, M. Beyer, T. Thomay, R. Bratschitsch, A. Leitenstorfer, and Yu. S. Dedkov, “Defect induced low temperature ferromagnetism in Zn_1−xCo_xO films”, J. Appl. Phys. 101, 073904 (2007).
Link

[63] M. Fonin, Yu. S. Dedkov, R. Pentcheva, U. Rüdiger, and G. Güntherodt, “Magnetite: a search for the half-metallic state”, J. Phys.: Condens. Matter. 19, 315217 (2007).
☆ Special Issue
Link

[62] M. Fonin, Yu. S. Dedkov, U. Rüdiger, and G. Güntherodt, “Growth and morphology of the epitaxial Fe(110)/MgO(111)/Fe(110) trilayrs”, Surf. Sci. 601, 2166 (2007).
Link

[61] E. Biegger, L. Stäheli, M. Fonin, U. Rüdiger, and Yu. S. Dedkov, “Intrinsic ferromagnetism versus phase segregation in Mn-doped Ge”, J. Appl. Phys. 101, 103912 (2007).
Link

[60] Yu. S. Dedkov, “Evidence for the short-period oscillations in spin-resolved photoemission of thin Cr(110) films”, Eur. Phys. J. B 57, 15 (2007).
Link

[59] Yu. S. Dedkov, M. Fonin, Yu. Kucherenko, S. L. Molodtsov, U. Rüdiger, and C. Laubschat, “Spin-dependence of Ce 4f hybridization in magnetically ordered systems: A spin-resolved photoemission study of Ce/Fe(110)”, Phys. Rev. B 76, 073104 (2007).
Link

[58] Yu. S. Dedkov, C. Laubschat, S. Khmelevskyi, J. Redinger, P. Mohn, and M. Weinert, “YCo₂: Intrinsic magnetic surface of a paramagnetic bulk material”, Phys. Rev. Lett. 99, 047204 (2007).
Link

[57] Yu. S. Dedkov, M. Fonin, Yu. Kucherenko, S. L. Molodtsov, U. Rüdiger, and C. Laubschat, “Spin-dependent hybridization and magnetic order of Ce/Fe(110) studied by spin-resolved resonant photoemission”, Surf. Sci. 601, 4329 (2007).
Link

[56] Yu. S. Dedkov, S. L. Molodtsov, H. Rosner, A. Leithe-Jasper, W. Schnelle, M. Schmidt, and Y. Grin, “Divalent state of ytterbium in YbFe₄Sb₁₂ filled skutterudite”, Physica C 460–462, 698 (2007).
Link

[55] Yu. S. Dedkov and C. Laubschat, “Surface magnetism of YCo₂“, Surf. Sci. 601, 4339 (2007).
Link

[54] L. I. Burova, S. V. Samoilenkov, M. Fonin, E. Biegger, Yu. S. Dedkov, E. A. Ganshina, O. Yu. Gorbenko, U. Rüdiger, and A. R. Kaul, “Room temperature ferromagnetic (Zn,Co)O epitaxial films obtained by low-temperature MOCVD process”, Thin Solid Films 515, 8490 (2007).
Link

[53] E. Voloshina and B. Paulus, “Wavefunction-based ab initio method for metals: application of the incremental scheme to magnesium”, Phys. Rev. B. 75, 245117 (2007).
Link

[52] E. Voloshina, N. Gaston, and B. Paulus: “Embedding procedure for ab initio correlation calculations in group II metals”, J. Chem. Phys. 126, 134115 (2007).
Link

[51] E. Voloshina and B. Paulus: “Electron-correlation effects in metals from first principles: a multi-reference incremental scheme”, AIP CP963 (G. Maroulis and T. E. Simos, eds.), Computational methods in science and engineering, Theory and computation: Old problems and new challenges, 2, 274 (2007).

2006

[50] E. Voloshina and B. Paulus, “Influence of electronic correlations on the ground-state properties of cerium dioxide”, J. Chem. Phys. 124, 234711 (2006).
Link

[49] S. F. Seibert, E. Eguereva, A. Krick, S. Kehraus, E. Voloshina, G. Raabe, J. Fleischhauer, E. Leistner, M. Wiese, H. Prinz, K. Alexandrov, P. Janning, H. Waldmann, and G. M. König, “Polyketides from the marine-derived fungus Ascochyta salicorniae and their potential to inhibit protein phosphatases”, Org. Biomol. Chem. 4, 2233 (2006).
Link

[48] E. N. Voloshina, Yu. S. Dedkov, M. Richter, and P. Zahn, “Electronic structure, magnetism, and spin-dependent transport of CeMnNi₄”, Phys. Rev. B. 73, 144412 (2006).
Link

[47] S. F. Seibert, G. M. König, E. Voloshina, G. Raabe, and J. Fleischhauer, “The application of density functional theory for the determination of the absolute configuration of molecules”, Chirality 18, 413 (2006).
Link

[46] Yu. S. Dedkov, E. N. Voloshina, and M. Fonin, “Observation of surface state on ultrathin fcc γ-Mn(111) layer”, Surf. Sci. 600, 4328 (2006).
Link

[45] Yu. S. Dedkov, M. Fonin, U. Rüdiger, and G. Güntherodt, “Spin-resolved photoelectron spectroscopy of the MgO/Fe(110) system”, Appl. Phys. A 82, 489 (2006).
Link

[44] Yu. S. Dedkov, Th. Kleissner, E. N. Voloshina, S. Danzenbächer, S. L. Molodtsov, and C. Laubschat, “Ferromagnetic coupling in Eu/Gd(0001) observed by spin- resolved photoelectron spectroscopy”, Phys. Rev B 73, 012402 (2006).
Link

[43] D. V. Vyalikh, Yu. Kucherenko, S. Danzenbächer, Yu. S. Dedkov, C. Laubschat, and S. L. Molodtsov, “Wave-vector conservation upon hybridization of 4f and valence-band states observed in photoemission spectra of a Ce monolayer on W(110)”, Phys. Rev. Lett. 96, 026404 (2006).
Link

[42] D. V. Vyalikh, A. Kirchner, A. Kade, S. Danzenbächer, Yu. S. Dedkov, M. Mertig, and S. L. Molodtsov, “Spectroscopic studies of the electronic properties of regularly arrayed two-dimensional protein layers”, J. Phys.: Condens. Matter 18, S131 (2006).
Link

2005

[41] E. Voloshina and B. Paulus, “On the application of the incremental scheme to ionic solids: test of different embeddings”, Theor. Chem. Acc. 114, 259 (2005).
Link

[40] D. Enders, M. Milovanovic, E. Voloshina, G. Raabe, and J. Fleischhauer, “First asymmetric synthesis and determination of the absolute configuration of a lignan isolated from Virola sebifera“, Eur. J. Org. Chem. 2005, 1984 (2005).
Link

[39] E. N. Voloshina, J. Fleischhauer, and P. Kraft, “Conformational analysis and CD calculations of methyl-substituted 13-tridecanolides”, Helv. Chim. Acta. 88, 194 (2005).
Link

[38] N. A. Voloshin, A. V. Chernyshev, A. V. Metelitsa, I. M. Raskita, E. N. Voloshina, and V. I. Minkin, “Spiropyrans and spirooxazines. 3. Synthesis of photochromic 5’-(4,5-diphenyl-1,3-oxazol-2-yl)-spiro[indoline-2,3’-naphto[2,3-b]pyran]”, Rus. Chem. Bull., Int. Ed. 3, 705 (2005).
Link

[37] D. V. Vyalikh, P. Zahn, M. Richter, Yu. S. Dedkov, and S. L. Molodtsov, “Short-period oscillations in photoemission from thin films of Cr(100)”, Phys. Rev. B 72, 041402 (R) (2005).
Link

[36] Yu. S. Dedkov, A. S. Vinogradov, M. Fonin, C. König, D. V. Vyalikh, A. B. Preobrajenski, S. A. Krasnikov, E. Yu. Kleimenov, M. A. Nesterov, U. Rüdiger, S. L. Molodtsov, and G. Güntherodt, “Correlations in the electronic structure of half-metallic ferromagnetic CrO₂ films: An x-ray absorption and resonant photoemission spectroscopy study”, Phys. Rev. B 72, 060401 (R) (2005).
Link

[35] M. Fonin, Yu. S. Dedkov, R. Pentcheva, M. Sperlich, D. V. Vyalikh, M. Scheffler, U. Rüdiger, and G. Güntherodt, “Surface electronic structure of the Fe₃O₄(100): Evidence of a half-metal to metal transition”, Phys. Rev. B 72, 104436 (2005).
Link

[34] D. V. Vyalikh, A. Kirchner, S. Danzenbächer, Yu. S. Dedkov, A. Kade, M. Mertig, and S. L. Molodtsov, “Photoemission and near-edge x-ray absorption fine structure studies of the bacterial surface protein layer of bacillus sphaericus NCTC 9602”, J. Phys. Chem. B. 109, 18620 (2005).
Link

[33] Yu. S. Dedkov, “Magnetic dichroism in angular resolved XPS on Fe (110)”, Eur. Phys. J. B 47, 315 (2005).
Link

[32] Yu. Babanov, S. Kiryanov, A. Sidorenko, L. Romashev, D. Vyalikh, S. Molodtsov, G. Guentherodt, U. Ruediger, Yu. S. Dedkov, M. Fonine, K. Baberschke, H.Wende, and Y. U. Idzerda, “Overlapping XAFS L spectra of 3d metals: A new application of the regularization method”, Physica Scripta 115, 194 (2005).
Link

[31] M. Fonin, Yu. S. Dedkov, U. Rüdiger, and G. Güntherodt, “Growth and room temperature spin polarization of half-metallic epitaxial CrO₂ and Fe₃O₄ thin films”, in Local-Moment Ferromagnets: Unique Properties for Modern Applications, Series: Lecture Notes in Physics, eds. M. Donath, W. Nolting, vol. 678, (2005). ISBN: 3-540-27286-0.

2004

[30] E. N. Voloshina, G. Raabe, M. Estermeier, B. Steffan, and J. Fleischhauer, “Determination of the absolute configuration of calliactine by quantum-chemical calculations”, Int. J. Quantum Chem. 100, 1104 (2004).
Link

[29] A. V. Metelitsa, J.-C. Micheau, S. O. Besugliy, E. B. Gaeva, N. A. Voloshin, E. N. Voloshina, A. Samat, and V. I. Minkin, “Photochromic properties of six 5-O-n-alkyl, 6-CN-substituted spironaphthoxazines”, Int. J. Photoenergy. 6, 199 (2004).
Link

[28] N. A. Voloshin, A. V. Chernyshev, A. V. Metelitsa, S. O. Besugliy, E. N. Voloshina, L. P. Sadimenko, and V. I. Minkin, “Photochromic spiro[indoline-pyridobenzopyrans]: fluorescent metal-ion sensors”, ARKIVOC. XI, 16 (2004).
Link

[27] E. N. Voloshina, G. Raabe, J. Fleischhauer, G. J. Kramp, and H.-J. Gais, “(E)-4-Methyl-1-tributyl- stannyl-oct-1-en-6-yn-3-ol: circular dichroism measurement and determination of the absolute configuration by quantum-chemical CD calculations”, Z. Naturforsch. 59a, 124 (2004).
Link

[26] Yu. S. Dedkov, M. Fonin, D. V. Vyalikh, J. O. Hauch, S. L. Molodtsov, U. Rüdiger, and G. Güntherodt, “Electronic structure of the Fe₃O₄(111) surface”, Phys. Rev. B 70, 073405 (2004).
Link

[25] D. V. Vyalikh, S. Danzenbächer, M. Mertig, A. Kirchner, W. Pompe, Yu. S. Dedkov, and S. L. Molodtsov, “Electronic structure of regular bacterial surface layers”, Phys. Rev. Lett. 93, 238103 (2004).
Link

[24] D. V. Vyalikh, M. Richter, Yu. S. Dedkov, and S. L. Molodtsov, “Oscillations in photoemission from Cr/Fe/W(100) and Cr/W(100)”, J. Magn. Magn. Mat. 272–276, 1147 (2004).
Link

2003

[23] E. N. Voloshina, Y. Wang, N. A. Voloshin, G. Raabe, H.-J. Gais, and J. Fleischhauer, “6-Methoxy- 3,3’,3’-trimethylspiro[2H-1-benzopyran-2,1’[2]oxaindan]: Separation of enantiomers, circular di- chroism measurements and determination of the absolute configuration”, Z. Naturforsch. 58a, 443 (2003).
Link

[22] N. A. Voloshin, A. V. Metelitsa, J.-C. Micheau, E. N. Voloshina, S. O. Besugly, N. E. Shelepin, V. I. Minkin, V. V. Tkachev, B. B. Saphoklov, and S. M. Aldoshin, “Spiropyrans and spirooxazines. 2. Synthesis, structure and photochromic properties of 6’-cyan-substituted spironaphthooxazines”, Rus. Chem. Bull., Int. Ed. 52, 2038 (2003).
Link

[21] N. A. Voloshin, A. V. Metelitsa, J.-C. Micheau, E. N. Voloshina, S. O. Besugliy, A. V. Vdovenko, N. E. Shelepin, and V. I. Minkin, “Spiropyrans and spirooxazines. 1. Synthesis and photochromic properties of 9’-hydroxy- and 9’-alkoxy-substituted spironaphthooxazines”, Rus. Chem. Bull., Int. Ed. 52, 1172 (2003).
Link

[20] M. Fonin, Yu. S. Dedkov, U. Rüdiger, and G. Güntherodt, “Growth and structure of Mn on Au(111) at room temperature”, Surf. Sci. 529, L275 (2003).
Link

[19] M. Fonin, Yu. S. Dedkov, U. Rüdiger, and G. Güntherodt, “In situ oxidation of epitaxial Fe(110) films grown on Mo(110)/Al₂O₃(11-20) substrates”, Surf. Sci. 536, 61 (2003).
Link

[18] M. Fonin, Yu. S. Dedkov, J. Mayer, U. Rüdiger, and G. Güntherodt, “Preparation, structure, and electronic properties of Fe₃O₄ films on the Fe(110)/Mo(110)/Al₂O₃(11-20) substrate”, Phys. Rev. B 68, 045414 (2003).
Link

[17] D. V. Vyalikh, E. Weschke, Yu. S. Dedkov, G. Kaindl, A. M. Shikin, and V. K. Adamchuk, “Quantum well states in bilayers of Ag and Au on W(110)”, Surf. Sci. 540, L638 (2003).
Link

[16] M. Fonin, Yu. S. Dedkov, C. König, G. Güntherodt, U. Rüdiger, J. Mayer, D. Vyalikh, and S. Molodtsov, “Room temperature spin polarization of epitaxial half-metallic Fe₃O₄(111) and CrO₂(100) films”, in Advances in Solid State Physics, ed. B. Kramer, vol. 43, Springer, Berlin (2003). ISBN: 3-540-40150-4.

2002

[15] A. V. Chernyshev, M. S. Chernov’yants, E. N. Voloshina, and N. A. Voloshin, “To estimation of pKa for spiropyrans of the indoline series”, Rus. J. Gen. Chem. 72, 1468 (2002).
Link

[14] Yu. S. Dedkov, U. Rüdiger, and G. Güntherodt, “Evidence for the half-metallic ferromagnetic state of Fe₃O₄ by spin-resolved photoelectron spectroscopy”. Phys. Rev. B 65, 064417 (2002).
Link

[13] Yu. S. Dedkov, M. Fonin, C. König, U. Rüdiger, and G. Güntherodt, S. Senz, and D. Hesse, “Room-temperature observation of high-spin polarization of epitaxial CrO₂(100) island films at the Fermi energy”, Appl. Phys. Lett. 80, 4181 (2002).
Link

[12] Yu. S. Dedkov, M. Fonin, U. Rüdiger, and G. Güntherodt, “Growth and spin- resolved photoemission spectroscopy of the epitaxial α-Al₂O₃/Fe(110) system”, Appl. Phys. Lett. 81, 2584 (2002).
Link

[11] Yu. S. Dedkov, M. Fonine, C.König, U. Rüdiger, G. Güntherodt, “Observation of high spin polarization of half-metallic ferromagnetic Fe₃O₄ and CrO₂ by spin-resolved photoelectron spectroscopy at room temperature”, INTERMAG Europe 2002, Digest of Technical Papers, 2002 IEEE International, FR17.

2001

[10] A. V. Metelitsa, J. C. Micheau, N. A. Voloshin, E. N. Voloshina, and V. I. Minkin, “Kinetic and thermodynamic investigations of the photochromism and solvatochromism of semipermanent merocyanines”, J. Phys. Chem. A. 105, 8417 (2001).
Link

[9] A. Yu. Grigoriev, O. V. Krupin, D. V. Vyalikh, Yu. S. Dedkov, A. M. Shikin, G. V. Prudnikova, and V. K. Adamchuk, “Silicon interaction with the (0001) surface of La and Gd layers”, Phys. Solid State 43, 380 (2001).
Link

[8] Yu. S. Dedkov, A. M. Shikin, V. K. Adamchuk, S. L. Molodtsov, C. Laubschat, A. Bauer, and G. Kaindl, “Intercalation of copper underneath a monolayer of graphite on Ni(111)”, Phys. Rev. B 64, 035405 (2001).
Link

2000

[7] A. M. Shikin, Yu. S. Dedkov, V. K. Adamchuk, D. Farias, and K.-H. Rieder, “Formation of an intercalation-like system by intercalation of C₆₀ molecules underneath a graphite monolayer on Ni(111)”, Surf. Sci. 452, 1 (2000).
Link

[6] A. M. Shikin, M. V. Poigin, Yu. S. Dedkov, S. L. Molodtsov, and V. K. Adamchuk, “Formation of intercalate-like systems of graphite-ytterbium monolayers on the Ni(111) surface”, Phys. Solid State 42, 1170 (2000).
Link

[5] A. M. Shikin, D. V. Vyalikh, Yu. S. Dedkov, G. V. Prudnikova, V. K. Adamchuk, E. Weschke, and G. Kaindl, “Extended energy range of Ag quantum-well states in Ag(111)/Au(111)/W(110)”, Phys. Rev. B 62, R2303 (2000).
Link

[4] A. M. Shikin, Yu. S. Dedkov, V. K. Adamchuk, D. Farias, and K.-H. Rieder, “Modification of electronic and atomic structure upon intercalation of C₆₀ molecules underneath a graphite monolayer on Ni(111)”, Mol. Mat. 13, 177 (2000).

1999

[3] D. Farias, A. M. Shikin, K.-H. Rieder, and Yu. S. Dedkov, “Synthesis of a weakly bonded graphite monolayer on Ni(111) by intercalation of silver”, J. Phys.: Condens. Matter 11, 8453 (1999).
Link

1998

[2] R. F. Khairutdinov, K. Giertz, J. K. Hurst, E. N. Voloshina, N. A. Voloshin, and V. I. Minkin: “Photochromism of spirooxazines in homogeneous solution and phospholipid liposomes”, J. Am. Chem. Soc. 120, 12707 (1998).
Link

1996

[1] N. A. Voloshin, N. V. Volbushko, E. N. Voloshina, N. E. Shelepin, and V. I. Minkin: “New formyl-substituted spiropyrans of the indoline series”, Chem. Heterocycl. Compd. (Engl. Transl), 32, 1427 (1996).
Link