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Alexander Lozovoi
Research Fellow
Address
Room A3
Atomistic Simulation Centre
Department of Physics and Astronomy
School of Mathematics and Physics
Queen's University Belfast
University Road
Belfast BT7 1NN
Northern Ireland
Tel: +44 (0) 28 9097 5330
Fax: +44 (0) 28 9097 3110
Email:
Primary Interests
- General
- Ab initio atomic scale simulations in solids
- Specific
- Point defects
- Surface oxidation
- Charged metallic surfaces
- Free energy calculations
- Methods
- FP-LMTO
- Plane-wave pseudopotentials
- FLAPW
- SIESTA
Current and recent projects
- Grain boundaries in metals
With and
- Field-evaporation from the first principles
With C. G. Sánchez and
- Vibrational contribution to the free energy of point defects in
NiAl
With
- Lattice dynamics of
 - alumina (0001) surface
With and
- Adatom diffusion on charged surfaces
With O. Fitzpatrick,
and
- Missing-row reconstruction of charged surfaces
With and
- Metallic surfaces at variable chemical potential of electrons
With , , and
- Early stages of oxidation of the NiAl(110) surface
With and
- Point defects in ordered intermetallic compounds
With ,
and
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