Dr. Peter Sushko

• Location: London Centre for Nanotechnology
• www: www.cmmp.ucl.ac.uk/~ps/
• e-mail: p.sushko@ucl.ac.uk
• +44-(0)20-7679-9936

Codes

• GUESS (Gaussians Used for Embedded Systems Studies): a code for embedded cluster calculations of defects in wide band gap materials.
• Gaussian
• CRYSTAL
• VASP

Research

My main research interests concern with modelling of materials properties on microscopic level and understanding the effect of defects and defect-related processes on them. In particular, I develop models of realistic surfaces and interfaces containing structural and chemical defects and study mechanisms of chemical reactions, electronic excitations and photo-induced processes, electron and hole transfer and charge trapping at defects and specific lattice sites at ab initio level. Recently I started to work on electronic properties of a novel sub-nanoporous material 12CaO · 7Al₂O₃ (C12A7). A rather complex structure of this material is responsible for its unusual properties. For example, C12A7 can be reversibly converted from an insulator to transparent conductor. Moreover, its framework can host anion species, such as Au^-, O₂^2-, and electrons at large concentrations of up to 10²¹ cm^-3, which makes C12A7 a convenient playground for studies of negative species that are unstable in other environments.

Figure caption: Structure and electronic properties of C12A7. Clockwise from the top left corner: a fragment of C12A7 lattice formed by three neighbouring cages; relaxation of a single cage associated with the electron trapping; two types of optical absorption in C12A7 containing extra-framework electrons; schematics of energy levels in C12A7. [Phys. Rev. Lett., v.91, 126401, (2003); Thin Solid Films v.445, 161, (2003)]

Figure caption: TEM image of MgO nano-particles produced using Chemical Vapour Deposition technique (O.Diwald, Vienna Technical University). Right: mechanisms of desorption of hyperthermal Mg atom from MgO nano-particles.

Selected publications

• P.V.Sushko, A.L.Shluger, K.Hayashi, M.Hirano, and 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), pp. 092101(1-3), (2005)
• P.V.Sushko, A.L.Shluger, K.Hayashi, M.Hirano, and H.Hosono, "Mechanisms of oxygen ion diffusion in a nanoporous complex oxide 12CaO · 7Al₂O₃" Physical Review B, 73, pp. 014101(1-10), (2006)
• P.V.Sushko, A.L.Shluger, K.Hayashi, M.Hirano, and H.Hosono, "Role of hydrogen atoms in the photoinduced formation of stable electron centers in H-doped 12CaO · 7Al₂O₃" Physical Review B, 73, pp. 045120(1-13), (2006)
• K.M.Beck, M.Henyk, C.Wang, P.E.Trevisanutto, P.V.Sushko, W.P.Hess and A.L.Shluger, "Site-specific laser modification of MgO nanoclusters: Towards atomic-scale surface structuring" Physical Review B, 74, pp. 045404(1-5), (2006)
• A.G.Joly, M.Henyk, K.M.Beck, P.E.Trevisanutto, P.V.Sushko, W.P.Hess and A.L.Shluger, "Probing electron transfer dynamics at MgO surfaces by Mg-atom desorption"Journal of Physical Chemistry B Letters, 110, pp.18093-18096, (2006)