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Condensed Matter & Materials Physics

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Publications

Forthcoming publications

  • K. H. L Zhang, Y. Du, P. V. Sushko, M. E. Bowden, V. Shutthanandan, S. Sallis, L. F. J. Piper, S. A. Chambers,Hole-induced metal-insulator transition in La1-xSrxCrO3 epitaxial films, Physical Review B (in press).

2015

  • M. Kitano, S. Kanbara, Y. Inoue, N. Kuganathan, P. V. Sushko, T. Yokoyama, M. Hara, H. Hosono, Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis, Nature Communications 6, 6731 (2015). [Link to PDF]
  • L. R. Parent, Y. Cheng, P. V. Sushko, Y. Shao, J. Liu, C.-M. Wang, N. D. Browning, Realizing the full potential of insertion anodes for Mg-ion batteries through the nanostructuring of Sn, Nano Letters 15, 1177-1182 (2015). [Link to PDF]
  • S. E. Chamberlin, I. H. Nayyar, T. C. Kaspar, P. V. Sushko, S. A. Chambers, Electronic structure and optical properties of α-(Fe1-xVx)2O3 solid-solution thin films, Applied Physics Letters 106, 041905 (2015). [Link to PDF]

2014

  • R. B. Comes, P. V. Sushko, S. M. Heald, R. J. Colby, M. E. Bowden, S. A. Chambers, Band-gap reduction and dopant interaction in epitaxial La,Cr co-doped SrTiO3 thin films, Chemistry of Materials 26, 7073-7082 (2014). [Link to PDF]
  • S. P. Hepplestone, P. V. Sushko, Effect of metal intermixing on the Schottky barriers of Mo(100)/GaAs(100) interfaces, Journal of Applied Physics 116, 193703 (2014). [Link to PDF]
  • K. H. L. Zhang, P. V. Sushko, R. Colby, Y. Du, M. E. Bowden, S. A. Chambers, Reversible nano-structuring of SrCrO3-δ through oxidation and reduction at low temperature, Nature Communications 5, 4669 (2014).[Link to PDF]
  • M. Aldegunde, S. P. Hepplestone, P. V. Sushko, K. Kalna, Multi-scale simulations of a Mo/n+-GaAs Schottky contact for nanoscale III-V MOSFETs, Semiconductor Science and Technology 29, 054004 (2014). [Link to PDF]
  • T. C. Kaspar, S. E. Chamberlin, M. E. Bowden, R. Colby, V. Shutthanandan, S. Manandhar, Y. Wang, P. V. Sushko, S. A. Chambers, Impact of lattice mismatch and stoichiometry on the structure and bandgap of (Fe,Cr)2O3 epitaxial thin films, Journal of Physics: Condensed Matter 26, 135005 (2014). [Link to PDF]
  • K. Hayashi, P. V. Sushko, Y. Hashimoto, A. L. Shluger, H. Hosono, Hydride ions in oxide hosts hidden by hydroxide ions, Nature Communications 5, 3515 (2014). [Link to PDF]
  • N. Kuganathan, H. Hosono, A. L. Shluger, P. V. Sushko, Enhanced N2 dissociation on Ru-loaded inorganic electride, Journal of the American Chemical Society 136, 2216-2219 (2014). [Link to PDF]

Past publications

  • Y. Wang, K. Lopata, S. A. Chambers, N. Govind, P. V. Sushko, Optical absorption and band gap reduction in (Fe1-xCrx)2O3 solid solutions: A first-principles study, Journal of Physical Chemistry C 117, 25504-25512 (2013). [Link to PDF]
  • P. V. Sushko, K. M. Rosso, J.-G. Zhang, J. Liu, M. L. Sushko, Oxygen vacancies and ordering of d-levels control voltage suppression in oxide cathodes: the case of spinel LiNi0.5Mn1.5O4-δ, Advanced Functional Materials 23, 5530-5535 (2013). [Link to PDF]
  • Y. Toda, H. Hirayama, N. Kuganathan, A. Torrisi, P. V. Sushko, H. Hosono, Activation and splitting of carbon dioxide on the surface of an inorganic electride material, Nature Communications 4, 2378 (2013). [Link to PDF]
  • S. E. Chamberlin, Y. Wang, K. Lopata, T. C. Kaspar, A. W. Cohn, D. R. Gamelin, N. Govind, P. V. Sushko, S. A. Chambers, Optical absorption and spectral photoconductivity in α-(Fe1-xCrx)2O3 solid-solution thin films, Journal of Physics: Condensed Matter 25, 392002 (2013). [Link to PDF]
  • S. A. Chambers, M. Gu, P. V. Sushko, H. Yang, C. Wang, N. D. Browning, Ultralow contact resistance at an epitaxial metal/oxide heterojunction through interstitial site doping, Advanced Materials 25, 4001-4005 (2013). [Link to PDF] [Issue TOC]
  • M. T. E. Halliday, A. G. Joly, W. P. Hess, P. V. Sushko, A. L. Shluger, Mechanisms of photodesorption of Br atoms from CsBr surfaces, Journal of Physical Chemistry C 117, 13502-13509 (2013). [Link to PDF]
  • L. Qiao, K. H. L. Zhang, M. E. Bowden, T. Varga, V. Shutthanandan, R. Colby, Y. Du, B. Kabius, P. V. Sushko, M. D. Biegalski, S. A. Chambers, The impacts of cation stoichiometry and substrate surface quality on nucleation, structure, defect formation, and intermixing in complex oxide heteroepitaxy - LaCrO3 on SrTiO3(001), Advanced Functional Materials 23, 2953-2963 (2013). [Link to PDF]
  • I. V. Abarenkov, M. A. Boyko, P. V. Sushko, Localized directed orbitals representing chemical bonds in ion-covalent crystals, International Journal of Quantum Chemistry 113, 1868-1876 (2013). [Link to PDF]
  • A. Sternig, O. Diwald, S. Gross, P. V. Sushko, Surface decoration of MgO nanocubes with sulfur oxides: experiment and theory, Journal of Physical Chemistry C 117, 7727-7735 (2013). [Link to PDF]
  • F. Ding, W. Xu, G. L. Graff, J. Zhang, M. L. Sushko, X. Chen, Y. Shao, M. H. Engelhard, Z. Nie, J. Xiao, X. Liu, P. V. Sushko, J. Liu, J-G. Zhang, Dendrite-free Lithium deposition via self-healing electrostatic shield mechanism, Journal of the American Chemical Society 135, 4450-4456 (2013). [Link to PDF]
  • P. V. Sushko, L. Qiao, M. Bowden, T. Varga, G. J. Exarhos, F. K. Urban III, D. Barton, S. A. Chambers,Multiband optical absorption controlled by lattice strain in thin-film LaCrO3, Physical Review Letters 110, 077401 (2013). [Link to PDF]
  • A. V. Kimmel, J. Iniguez, M. G. Cain, P. V. Sushko, Neutral and charged oxygen vacancies induce two-dimensional electron gas near SiO2/BaTiO3 interfaces, Journal of Physical Chemistry Letters 4, 333-337 (2013). [Link to PDF]
  • A. V. Kimmel, P. M. Weaver, M. G. Cain, P. V. Sushko, Defect-mediated lattice relaxation and domain stability in ferroelectric oxides, Physical Review Letters 109, 117601 (2012). [Link to PDF]
  • J. Xiao, X. Chen, P. V. Sushko, M. L. Sushko, L. Kovarik, J. Feng, Z. Deng, J. Zheng, G. L. Graff, Z. Nie, D. Choi, J. Liu, J.-G. Zhang, M. S. Whittingham, High performance LiNi0.5Mn1.5O4 spinel controlled by Mn3+concentration and site disorder, Advanced Materials 24, 2109-2116 (2012). [Link to PDF]
  • P. V. Sushko, Tuning optical properties of complex oxides: examples of 12CaO · 7Al2O3 mayenite and LaCrO3 perovskite, Proceedings of SPIE, volume 8263, 826310 (2012), Oxide-based Materials and Devices III. Editors: F. H. Teherani; D. C. Look, D. J. Rogers. ISBN: 9780819489067. [Link to PDF]
  • J. A. McLeod, E. Z. Kurmaev, P. V. Sushko, T. D. Boyko, I. A. Levitsky, A. Moewes, Selective response of mesoporous silicon to adsorbants with nitro groups, Chemistry - A European Journal 18, 2912-2922 (2012).[Link to PDF]
  • D. Munoz Ramo, P. V. Sushko, A. L. Shluger, Models of self-trapped excitons in SiO2, HfO2 and HfSiO4, Physical Review B 85, 024120 (2012). [Link to PDF]
  • J. A. McLeod, A. Buling, E. Z. Kurmaev, P. V. Sushko, M. Neumann, L. D. Finkelstein, S.-W. Kim, H. Hosono, A. Moewes, Spectroscopic characterization of a multiband complex oxide: insulating and conducting cement 12CaO · 7Al2O3, Physical Review B 85, 045204 (2012). [Link to PDF] [Editor's Suggestion]
  • S. A. Chambers, L. Qiao, T. C. Droubay, T. C. Kaspar, B. W. Arey, P. V. Sushko, Band alignment, built-in potential and the absence of conductivity at the LaCrO3/SrTiO3(001) heterojunction, Physical Review Letters 107, 206802 (2011). [Link to PDF]
  • A. S. Mysovsky, P. V. Sushko, E. A. Radzhabov, M. Reichling, A. L. Shluger, Structure and properties of oxygen centers in CaF2 crystals from ab initio embedded cluster calculations, Physical Review B 84, 064133 (2011). [Link to PDF]
  • L. Qiao, T. C. Droubay, T. C. Kaspar, P. V. Sushko, S. A. Chambers, Cation mixing, band offsets and electric fields at the LaAlO3/SrTiO3(001) heterojunctions with variable La:Al atom ratio, Surface Science 605, 1381-1387 (2011). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, Y. Toda, M. Hirano, H. Hosono, Models of stoichiometric and oxygen-deficient surfaces of subnanoporous 12CaO · 7Al2O3, Proceedings of the Royal Society A 467(2131), 2066-2083 (2011). [Link to PDF]
  • I. V. Abarenkov, M. A. Boyko, P. V. Sushko, Embedding and atomic orbitals hybridization, International Journal of Quantum Chemistry 111(11), 2602-2619 (2011). [Link to PDF]
  • K. P. McKenna, D. Koller, A. Sternig, N. Siedl, N. Govind, P. V. Sushko, O. Diwald, Optical properties of nanocrystallite interfaces in compressed MgO nanopowders, ACS Nano 5(4), 3003-3009 (2011). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, A. G. Joly, K. M. Beck, W. P. Hess, Exciton-driven highly-hyperthermal O-atom desorption from nanostructured CaO, Journal of Physical Chemistry C 115(3), 692-699 (2011). [Link to PDF]
  • S. A. Chambers, M. H. Engelhard, V. Shutthanandan, Z. Zhu, T. C. Droubay, L. Qiao, P. V. Sushko, T. Feng, H. D. Lee, T. Gustafsson, E. Garfunkel, A. B. Shah, J.-M. Zuo, Q. M. Ramasse, Instability, intermixing and electronic structure at the epitaxial LaAlO3/SrTiO3(001) heterojunction, Surface Science Reports 65, 317-352 (2010). [Link to PDF]
  • A. V. Kimmel, P. V. Sushko, M. M. Kuklja, The structure and decomposition chemistry of cis- trans-isomers in a crystalline DADNE, Journal of Energetic Materials 28 Suppl. 1, 128-139 (2010). [Link to PDF]
  • P. V. Sushko, K. M. Rosso, I. V. Abarenkov, Interaction of intercalated Li+ ions with oxygen vacancies in rutile TiO2, Electrochemical Society Transactions 28(11), 299-306 (2010). [Link to PDF]
  • M. L. Sushko, P. V. Sushko, I. V. Abarenkov, A. L. Shluger, QM/MM method for metal - organic interfaces, Journal of Computational Chemistry 31, 2955-2966 (2010). [Link to PDF]
  • S. Markov, P. Sushko, C. Fiegna, E. Sangiorgi, A. Shluger, A. Asenov, From ab initio properties of the Si-SiO2interface, to electrical characteristics of metal-oxide-semiconductor devices, Journal of Physics: Conference Series 242, 012010 (2010). [Link to PDF]
  • L. Qiao, T. C. Droubay, V. Shutthanandan, Z. Zhu, P. V. Sushko, S. A. Chambers, Thermodynamic instability at the stoichiometric LaAlO3/SrTiO3(001) interface, Journal of Physics: Condensed Matter 22, 312201 (2010). [IoP Select] [Link to PDF]
  • P. V. Sushko, K. P. McKenna, D. Munoz Ramo, A. L. Shluger, A. Sternig, S. Stankic, M. Muller, O. Diwald,Photoluminescence properties of alkaline-earth oxide nano-particles, Electrochemical Society Transactions 28(3), 67-80 (2010). [Link to PDF]
  • P. V. Sushko, I. V. Abarenkov, General purpose electrostatic embedding potential, Journal of Chemical Theory and Computation 6, 1323-1333 (2010). [Link to PDF]
  • A. L. Shluger, K. P. McKenna, P. V. Sushko, D. Munoz Ramo, A. V. Kimmel, Modelling of electron and hole trapping in oxides, Modelling and Simulation in Materials Science and Engineering 17, 084004 (2009). [Link to PDF]
  • A. V. Kimmel, D. Munoz Ramo, P. V. Sushko, A. L. Shluger, M. M. Kuklja, Modeling proton transfer and polarons in a molecular crystal diamino-dinitroethylene, Physical Review B 80, 134108 (2009). [Link to PDF]
  • P. V. Sushko, K. P. McKenna, A. L. Shluger, O. Diwald, Tuning photoluminescence properties of alkaline-earth oxide nano-particles by site-selective functionalization and doping, Electrochemical Society Transactions 25(9), 131-139 (2009). [Link to PDF]
  • A. Kimmel, P. Sushko, A. Shluger, G. Bersuker, Positive and negative oxygen vacancies in amorphous silica, Electrochemical Society Transactions 19(2), 3-17 (2009). [Link to PDF]
  • H. Hosono, K. Hayashi, K. Kajihara, P. V. Sushko, A. L. Shluger, Oxygen ion conduction in 12CaO · 7Al2O3: O2- conduction mechanism and possibility of O- fast conduction, Solid State Ionics 180(6-8), 550-555 (2009). [Link to PDF]
  • A. Martinez, K. Kalna, P. V. Sushko, A. L. Shluger, J. R. Barker, A. Asenov, Impact of Body-Thickness-Dependent Band Structure on Scaling of Double-Gate MOSFETs: A DFT/NEGF Study, IEEE Transaction on Nanotechnology 8(2), 159-166 (2009). [Link to PDF]
  • N. Govind, P. V. Sushko, W. P. Hess, M. Valiev, K. Kowalski, Excitons in potassium bromide: A study using embedded time-dependent density functional theory and equation-of-motion coupled cluster methods, Chemical Physics Letters 470(4-6), 353-357 (2009). [Link to PDF]
  • P. E. Trevisanutto, P. V. Sushko, K. M. Beck, A. G. Joly, W. P. Hess, A. L. Shluger, Excitation, Ionization, and Desorption: How Sub-Band Gap Photons Modify the Structure of Oxide Nanoparticles, Journal of Physical Chemistry C 113(4), 1274-1279 (2009). [Link to PDF]
  • D. Munoz Ramo, P. V. Sushko, J. L. Gavartin, A. L. Shluger, Oxygen vacancies in cubic ZrO2 nanocrystals studied by an ab initio embedded cluster method, Physical Review B 78(23), 235432 (2008). [Link to PDF]
  • P. V. Sushko, H. Hiramatsu, M. Hirano, H. Hosono, Properties of LaFeAsO/MgO(001) interfaces from ab initio calculations, Journal of Physical Society of Japan (Supplement C) 77, 113-116 (2008). [Link to PDF]
  • T. Nomura, S.-W. Kim, Y. Kamihara, M. Hirano, P. V. Sushko, K. Kato, M. Takata, A. L. Shluger, H. Hosono,Tetragonal-orthorhombic phase transition and F-doping effects on the crystal structure in the iron-based high-Tc superconductor LaFeAsO, Journal of Physical Society of Japan (Supplement C) 77, 32-35 (2008). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, M. Hirano, H. Hosono, Mechanism of phase transitions and electronic density of states in LaFeAsO1-xFx and SmFeAsO1-xFx from ab initio density functional calculations, Physical Review B 78(17), 172508 (2008). [Link to PDF]
  • T. Nomura, S.-W. Kim, Y. Kamihara, M. Hirano, P. V. Sushko, K. Kato, M. Takata, A. L. Shluger, H. Hosono,Crystallographic phase transition and high-Tc superconductivity in LaFeAsO:F, Superconductor Science & Technology 21(12), 125028 (2008). [Link to PDF]
  • K. M. Beck, A. G. Joly, O. Diwald, S. Stankic, P. E. Trevisanutto, P. V. Sushko, A. L. Shluger, W. P. Hess,Energy and site selectivity in O-atom photodesorption from nanostructured MgO, Surface Science602(11), 1968-1973 (2008). [Link to PDF]
  • S. Markov, P. V. Sushko, S. Roy, C. Fiegna, E. Sangiorgi, A. L. Shluger, A. Asenov, Si-SiO2 interface band-gap transition - effects on MOS inversion layer, physica status solidi (a) 205(6), 1290-1295 (2008). [Link to PDF]
  • M. Aldegunde, N. Seoane, A. J. Garcia-Loureiro, P. V. Sushko, A. L. Shluger, J. L. Gavartin, K. Kalna, A. Asenov,Atomistic mesh generation for the simulation of nanoscale metal-oxide-semiconductor field-effect transistors, Physical Review E 77(5), 056702 (2008). [Link to PDF]
  • A. V. Kimmel, P. V. Sushko, A. L. Shluger, M. M. Kuklja, Effect of molecular and lattice structure on hydrogen transfer in molecular crystals of diamino-dinitroethylene and triamino-trinitrobenzene, Journal of Physical Chemistry A 112(19), 4496-4500 (2008). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, M. Hirano, H. Hosono, Insulator-conductor transition in 12CaO · 7Al2O3 films: on the stability of the crystal lattice under Ar+ bombardment, Thin Solid Films 516(7), 1350-1353 (2008).[Link to PDF]
  • A. V. Kimmel, P. V. Sushko, A. L. Shluger, M. M. Kuklja, An effect of charged and excited states on decomposition of 1.1-diamino-2,2-dinitroethylene, Shock Compression of Condensed Matter - 2007, parts 1 and 2; Editor(s): M. Elert, M. D. Furnish, R. Chau, N. C. Holmes, J. Nguyen. Book Series: AIP Conference Proceedings 955, 389-392 (2007).
  • M. Aldegunde, A. J. Garcia-Loureiro, P. V. Sushko, A. L. Shluger, K. Kalna, A. Asenov, "Atomistic" mesh generation for the simulation of semiconductor devices, SISPAD 2007: Simulation of Semiconductor Processes and Devices; Editor(s): T. Grasser and S. Selberherr; 97-100 (2007).
  • L. Giordano, P. V. Sushko, G. Pacchioni, A. L. Shluger, Electron trapping at point defects on hydroxylated silica surfaces, Physical Review Letters 99(13), 136801 (2007). [Link to PDF]
  • M. Muller, S. Stankic, O. Diwald, E. Knozinger, P. V. Sushko, P. E. Trevisanutto, A. L. Shluger, Effect of Protons on the Optical Properties of Oxide Nanostructures, Journal of the American Chemical Society 129(41), 12491-12496 (2007). [Link to PDF]
  • K. P. McKenna, P. V. Sushko, A. L. Shluger, Inside powders: a theoretical model of interfaces between MgO nanocrystallites, Journal of the American Chemical Society 129, 8600-8608 (2007). [Link to PDF]
  • A. V. Kimmel, P. V. Sushko, M. M. Kuklja, A. L. Shluger, Effect of charged and excited states on the decomposition of 1,1-diamino-2,2,dinitoethylene molecules, Journal of Chemical Physics 126, 234711(1-10) (2007). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, Electronic structure of insulator-confined ultra-thin Si channels, Microelectronic Engineering 84, 2043-2046 (2007). [Link to PDF]
  • K. P. McKenna, P. V. Sushko, A. L. Shluger, Dynamics of low-coordinated surface atoms on gold nanocrystallites, Journal of Chemical Physics 126, 154704(1-9) (2007). [Link to PDF]
  • A. V. Kimmel, P. V. Sushko, A. L. Shluger, Structure and spectroscopic properties of trapped holes in silica, Journal of Non-Crystalline Solids 353, 599-604 (2007). [Link to PDF]
  • P. V. Sushko, D. Munoz Ramo, A. L. Shluger, Electronic structure and spectroscopic properties of interstitial anions in the nanoporous complex oxide 12CaO · 7Al2O3, physica status solidi (a) 204, 663-669 (2007).[Link to PDF]
  • K. P. McKenna, P. V. Sushko, A. L. Shluger, Transient atomic configurations of supported gold nanocrystallites at finite temperature Journal of Physical Chemistry C Letters 111, 2823-2826 (2007). [Link to PDF]
  • K. Hayashi, P. V. Sushko, D. Munoz Ramo, A. L. Shluger, S. Watauchi, I. Tanaka, S. Matsuishi, M. Hirano, H. Hosono, Nanoporous crystal 12CaO · 7Al2O3: a playground for studies of ultraviolet optical absorption of negative ions, Journal of Physical Chemistry B 111, 1946-1956 (2007). [Link to PDF] [CHEMINFORM]
  • L. Giordano, P. V. Sushko, G. Pacchioni, A. L. Shluger, Optical and EPR properties of point defects at a crystalline silica surface: ab initio embedded-cluster calculations, Physical Review B 75, 024109(1-9) (2007). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, M. Hirano, H. Hosono, From insulator to electride: a theoretical model of nanoporous oxide 12CaO · 7Al2O3, Journal of the American Chemical Society 129, 942-951 (2007). [Link to PDF]
  • A. G. Joly, M. Henyk, K. M. Beck, P. E. Trevisanutto, P. V. Sushko, W. P. Hess, A. L. Shluger, Probing electron transfer dynamics at MgO surfaces by Mg-atom desorption, Journal of Physical Chemistry B Letters 110, 18093-18096 (2006). [Link to PDF]
  • J. Carrasco, C. Sousa, F. Illas, P. V. Sushko, A. L. Shluger, Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations, Journal of Chemical Physics 125, 074710(1-9) (2006). [Link to PDF]
  • K. M. Beck, M. Henyk, C. Wang, P. E. Trevisanutto, P. V. Sushko, W. P. Hess, A. L. Shluger, Site-specific laser modification of MgO nanoclusters: Towards atomic-scale surface structuring, Physical Review B 74, 045404(1-5) (2006). [Link to PDF]
  • M. Miyakawa, H. Kamioka, M. Hirano, T. Kamiya, P. V. Sushko, A. L. Shluger, N. Matsunami, H. Hosono,Photoluminescence from Au ion-implanted nanoporous single crystal 12CaO · 7Al2O3, Physical Review B73, 205108(1-7) (2006). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H. Hosono, Mechanisms of oxygen ion diffusion in a nanoporous complex oxide 12CaO · 7Al2O3, Physical Review B 73, 014101(1-10) (2006). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H. Hosono, Role of hydrogen atoms in the photoinduced formation of stable electron centers in H-doped 12CaO · 7Al2O3, Physical Review B 73, 045120(1-13) (2006). [Link to PDF]
  • K. Hayashi, P. V. Sushko, A. L. Shluger, M. Hirano, H. Hosono, Hydride ion as a two-electron donor in a nanoporous crystalline semiconductor 12CaO · 7Al2O3, Journal of Physical Chemistry B 109, 23836-23842 (2005). [Link to PDF] [CHEMINFORM]
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H. Hosono, Localisation assisted by the lattice relaxation and the optical absorption of extra-framework electrons in 12CaO · 7Al2O3, Materials Science and Engineering C 25, 722-726 (2005). [Link to PDF]
  • P. E. Trevisanutto, P. V. Sushko, A. L. Shluger, K. M. Beck, M. Henyk, J. G. Joly, W. P. Hess, A mechanism of photo-induced desorption of oxygen atoms from MgO nano-crystals. Surface Science 593(1-3), 210-220 (2005). [Link to PDF]
  • W. P. Hess, A. G. Joly, K. M. Beck, M. Henyk, P. V. Sushko, P. E. Trevisanutto, A. L. Shluger, Laser control of desorption through selective surface excitations - feature article, Journal of Physical Chemistry B 109, 19563-19578 (2005). [Link to PDF]
  • P. V. Sushko, S. Mukhopadhyay, A. M. Stoneham, A. L. Shluger, Oxygen vacancies in amorphous silica: structure and distribution of properties, Microelectronic Engineering 80, 292-295 (2005). [Link to PDF]
  • M. Sterrer, T. Berger, O. Diwald, E. Knozinger, P. V. Sushko, A. L. Shluger, Chemistry at corners and edges: generation and adsorption of H atoms on the surface of MgO nanocubes, Journal of Chemical Physics 123, 064714(1-7) (2005). [Link to PDF]
  • S. Mukhopadhyay, P. V. Sushko, A. M. Stoneham, A. L. Shluger, Correlation between the atomic structure, formation energies and optical absorption of neutral vacancies in amorphous silica, Physical Review B 71, 235204(1-9) (2005). [Link to PDF]
  • P. V. Sushko, S. Mukhopadhyay, A. S. Mysovsky, V. B. Sulimov, A. Taga, A. L. Shluger, Structure and properties of defects in amorphous silica: new insights from embedded cluster calculations, Journal of Physics: Condensed Matter 17(21), S2115-S2140 (2005). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H. Hosono, Photo-induced generation of electron anions in H-doped nano-porous oxide 12CaO · 7Al2O3: toward an optically controlled formation of electrides, Applied Physics Letters 86(9), 092101(1-3) (2005). [Link to PDF]
  • S. Mukhopadhyay, P. V. Sushko, V. A. Mashkov, A. L. Shluger, Spectroscopic features of dimer and dangling bond E' centres in amorphous silica, Journal of Physics: Condensed Matter 17(8), 1311-1318 (2005). [Link to PDF]
  • A. S. Mysovsky, E. A. Radzhabov, M. Reichling, A. L. Shluger, P. V. Sushko, Optical properties and transformation mechanism of oxygen centres and their aggregates in CaF2 crystals, physica status solidi (c) 2(1), 392-396 (2005). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, The effect of the alpha-quartz lattice on the optical absorption and stretchnig frequency of the interstitial O2 molecule, physica status solidi (c) 2(1), 503-506 (2005). [Link to PDF]
  • S. Mukhopadhyay, P. V. Sushko, A. H. Edwards, A. L. Shluger, Calculation of relative concentrations of E'centres in amorphous silica. Journal of Non-Crystalline Solids 345&346, 703-709 (2004). [Link to PDF]
  • S. Mukhopadhyay, P. V. Sushko, A. M. Stoneham, A. L. Shluger, Modeling of the structure and properties of oxygen vacancies in amorphous silica, Physical Review B 70, 195203(1-15) (2004). [Link to PDF]
  • M. M. Kuklja, F. J. Zerilli, P. V. Sushko, Embedded cluster model: application to molecular crystals, Synthesis, Characterization and Properties of Energetic/Reactive Nanomaterials. Book Series: Materials Research Society Proceedings 800, 211-222 (2004).
  • W. P. Hess, A. G. Joly, K. M. Beck, P. V. Sushko, A. L. Shluger, Determination of surface exciton energies by velocity resolved atomic desorption, Surface Science 564, 62-70 (2004). [Link to PDF]
  • A. S. Mysovsky, P. V. Sushko, S. Mukhopadhyay, A. H. Edwards, A. L. Shluger, Calibration of embedded-cluster method for defect studies in amorphous silica, Physical Review B 69, 085202(1-10) (2004). [Link to PDF]
  • K. M. Beck, A. G. Joly, N. F. Dupuis, P. Perozzo, W. P. Hess, P. V. Sushko, A. L. Shluger, Laser control of product electronic state: desorption from alkali halides, Journal of Chemical Physics 120(5), 2456-2463 (2004). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H. Hosono, Hopping and optical absorption of electrons in nano-porous crystal 12CaO · 7Al2O3, Thin Solid Films 445(2), 161-167 (2003). [Link to PDF]
  • A. L. Shluger, A. S. Foster, J. L. Gavartin, P. V. Sushko, Models of defects in wide-gap oxides: Perspective and challenges, In Nano and Giga Challenges in Microelectronics 151-222. Edited by J. Greer, A. Korkin, J. Labanowski. Elsevier, 2003.
  • P. V. Sushko, A. L. Shluger, K. Hayashi, M. Hirano, H.Hosono, Electron localization and a confined electron gas in nanoporous inorganic electrides, Physical Review Letters 91, 126401 (2003). [Link to PDF]
  • A. G. Joly, K. M. Beck, M. Henyk, W. P. Hess, P. V. Sushko, A. L. Shluger, Surface electronic spectra detected by atomic desorption, Surface Science 544, L683-L688 (2003). [Link to PDF]
  • D. Ricci, G. Pacchioni, P. V. Sushko, A. L. Shluger, Reactivity of (H+)(e-) color centers at the MgO surface: formation of O2- and N2- radical ions, Surface Science 542, 293-306 (2003). [Link to PDF]
  • J. L. Gavartin, P. V. Sushko, A. L. Shluger, Modelling charge self-trapping in wide-gap dielectrics: localisation problem in local density functionals, Physical Review B 67, 035108(1-9) (2003). [Link to PDF]
  • D. Ricci, C. Di Valentin, G. Pacchioni, P. V. Sushko, A. L. Shluger, E. Giamello, Paramagnetic defect centers at the MgO surface. An alternative model to oxygen vacancies Journal of the American Chemical Society125(3), 738-747 (2003). [Link to PDF]
  • P. V. Sushko, V. B. Sulimov, A. S. Mysovsky, A. L. Shluger, Long-range character of lattice distortion by vacancies in alpha-quartrz, In 3rd Forum on New Materials - Vol. 1, Computational Modelling and Simulations of Materials- II, 75-86 (2002).
  • A. H. Edwards, P. V. Sushko, A. L. Shluger, V. B. Sulimov, Embedding techniques for irradiation-induced defects in crystalline SiO2, 2001 6th European Conference on Radiation and its Effects on Components and Systems, 98-104 (2002).
  • M. Sterrer, O. Diwald, E. Knozinger, P. V. Sushko, A. L. Shluger, Energies and dynamics of photoinduced electron and hole processes on MgO powders, Journal of Physical Chemistry B 106(48), 12478-12482 (2002). [Link to PDF]
  • K. M. Beck, A. G. Joly, W. P. Hess, D. P. Gerrity, N. F. Dupuis, P. V. Sushko, A. L. Shluger, Transient center photodecomposition in potassium bromide, Applied Surface Science 197-198, 581-586 (2002). [Link to PDF]
  • A. H. Edwards, P. V. Sushko, A. L. Shluger, V. B. Sulimov, Embedding techniques for irradiation-induced defects in crystalline and amorphous SiO2, IEEE Transactions on Nuclear Science 49(3), 1383-1388 (2002).
  • W. P. Hess, A. G. Joly, K. M. Beck, D. P. Gerrity, P. V. Sushko, A. L. Shluger, Solid-state halogen atom source for chemical dynamics and etching, Applied Physics Letters 81(6), 1140-1142 (2002). [Link to PDF]
  • D. Ricci, G. Pacchioni, P. V. Sushko, A. L. Shluger, Electron trapping at neutral divacancy sites on the MgO surface, Journal of Chemical Physics 117(6), 2844-2851 (2002). [Link to PDF]
  • V. B. Sulimov, P. V. Sushko, A. H. Edwards, A. L. Shluger, A. M. Stoneham, Asymmetry and long-range character of lattice deformation by neutral oxygen vacancy in α-quartz, Physical Review B 66, 024108(1-14) (2002). [Link to PDF]
  • W. P. Hess, A. G. Joly, D. P. Gerrity, K. M. Beck, P. V. Sushko, A. L. Shluger, Control of laser desorption using tunable single pulses and pulse pairs, Journal of Chemical Physics 116(18), 8144-8151 (2002). [Link to PDF]
  • P. V. Sushko, J. L. Gavartin, A. L. Shluger, Electronic properties of structural defects at the MgO (001) surface, Journal of Physical Chemistry B 106(9), 2269-2276 (2002). [Link to PDF]
  • J. S. Braithwaite, P. V. Sushko, K. Wright, C. R. A. Catlow, Hydrogen defects in Forsterite: A test case for the embedded cluster method, Journal of Chemical Physics 116(6), 2628-2635 (2002). [Link to PDF]
  • O. Diwald, M. Sterrer, E. Knozinger, P. V. Sushko, A. L. Shluger, Wavelength selective excitation of surface oxygen anions on highly dispersed MgO, Journal of Chemical Physics 116(4), 1707-1712 (2002). [Link to PDF]
  • W. P. Hess, A. G. Joly, D. P. Gerrity, K. M. Beck, P. V. Sushko, A. L. Shluger, Selective laser desorption of ionic surfaces: resonant surface excitation of KBr, Journal of Chemical Physics 115(20), 9463-9472 (2001).[Link to PDF]
  • P. V. Sushko, A. L. Shluger, C. R. A. Catlow, Relative energies of surface and defect states: ab initio calculations of the MgO (001) surface, Surface Science 450(3), 153-170 (2000). [Link to PDF]
  • S. T. Bromley, S. A. French, A. A. Sokol, P. V. Sushko, C. R. A. Catlow, Application of Density Functional Theory in Solid State Chemistry, In Recent Advances in Density Functional Methods, Vol.1, Part 3, pp. 45-66, edited by V. Barone, A. Bencini, P. Fantucci, World Scientific Publishing Co., (2000). [CHEMINFORM]
  • P. V. Sushko, A. L. Shluger, R. C. Baetzold, C. R. A. Catlow, Embedded cluster calculations of metal complex impurity defects: properties of the iron cyanide in NaCl, Journal of Physics: Condensed Matter 12(38), 8257-8266 (2000). [Link to PDF]
  • L. N. Kantorovich, A. L. Shluger, P. V. Sushko, A. M. Stoneham, The prediction of metastable impact electronic spectra (MIES): perfect and defective MgO(001) surfaces by state-of-art methods, Surface Science 444, 31-51 (2000). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, C. R. A. Catlow, R. C. Baetzold, Embedded cluster approach: application to complex defects, Radiation Effects and Defects in Solids 151(1-4), 215-221 (1999). [Link to PDF]
  • L. N. Kantorovich, A. L. Shluger, P. V. Sushko, J. Gunster, P. Stracke, D. W. Goodman, V. Kempter, Mg clusters on MgO surfaces: study of the nucleation mechanism with MIES and ab initio calculations, Faraday Discussions 114, 173-194 (1999). [Link to PDF]
  • P. V. Sushko, A. S. Foster, L. N. Kantorovich, A. L. Shluger, Investigating the effects of silicon tip contamination in noncontact scanning force microscopy (SFM), Applied Surface Science 144-145, 608-612 (1999). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, Electronic structure of excited states at low-coordinated surface sites of MgO, Surface Science 421(3), L157-L165 (1999). [Link to PDF]
  • A. L. Shluger, P. V. Sushko, L. N. Kantorovich, Spectroscopy of low-coordinated surface sites: Theoretical study of MgO, Physical Review B 59(3), 2417-2430 (1999). [Link to PDF]
  • P. V. Sushko, A. L. Shluger, C. R. A. Catlow, Self-consistent embedded cluster approach and its application to color centers at the surface of MgO, Journal of Molecular Graphics & Modelling 16(4-6), 279-280 (1998).
  • M. G. Kozlov, A. V. Titov, N. S. Mosyagin, P. V. Souchko, Enhancement of the electric dipole moment of the electron in the BaF molecule, Physical Review A 56(5), R3326-R3329 (1997). [Link to PDF]
  • I. V. Abarenkov, V. L. Bulatov, R. Godby, V. Heine, M. C. Payne, P. V. Souchko, A. V. Titov, I. I. Tupitsyn,Electronic-structure multiconfiguration calculation of a small cluster embedded into a local-density approximation host, Physical Review B 56(4), 1743-1750 (1997). [Link to PDF]