Alexei Grechnev, Researcher


  • Kharkiv National University, Ukraine, 1994-1999

  • PhD student: Uppsala University, Sweden, 1999-2005

  • PhD thesis “Theoretical studies of two-dimensional magnetism and chemical bonding.”, 2005

  • Postdoc: Radboud University Nijmegen, The Netherlands, 2005-2006

Current Position: Researcher (since 2007) at Department of Theoretical Physics, B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, Kharkiv, Ukraine

Scientific interests:

  • Classical and quantum spin lattices, including Shastry-Sutherland and Kagome

  • First principles (DFT) studies of molecular cryocrystals

Past interests:

  • Strongly correlated systems and dynamical mean-field theory (DMFT)

  • Theory of exchange bias in FM/AFM bilayers

  • DFT studies of chemical bonding and H-H interaction in metal


List of all publications


John M. Wills, Mebarek Alouani, Per Andersson, Anna Delin, Olle Eriksson, Oleksiy Grechnyev
Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory (Springer Series in Solid-State Sciences, Book 167)
Springer; 2010 edition (December 2, 2010)
ISBN-10: 3642151434
ISBN-13: 978-3642151439

Selected articles:

  1. Yu. A. Freiman, Alexei Grechnev, S. M. Tretyak, A. F. Goncharov, C. S. Zha, and Russell J. Hemley “Sound velocities of hexagonal close-packed H2 and He under pressure”, Phys. Rev. B 88, 214501 (2013)

  2. Alexei Grechnev “Exact ground state of the Shastry- Sutherland lattice with classical Heisenberg spins”, Phys. Rev. B 87, 144419 (2013)

  3. Yu. A. Freiman, Alexei Grechnev, S. M. Tretyak, Alexander F. Goncharov, and Russell J. Hemley, “Equation of state and Raman- active E2g lattice phonon in phases I, II, and III of solid hydrogen and deuterium”, Phys. Rev. B 86, 014111 (2012)

  4. Alexei Grechnev, I. Di Marco, M. I. Katsnelson, A. I. Lichtenstein, John Wills, and Olle Eriksson “Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni ”, Phys. Rev. B 76, 035107 (2007)

  5. A. Grechnev, S. Li, R. Ahuja, O. Eriksson, U. Jansson, and O. Wilhelmsson “Layered compound Nb3SiC2 predicted from first-principles theory”, Appl. Phys. Lett. 85, 3071 (2004)

  6. Alexei Grechnev, Rajeev Ahuja and Olle Eriksson, “Balanced crystal orbital overlap population―a tool for analysing chemical bonds in solids”, J. Phys.: Condens. Matter 15, 7751 (2003)

  7. E. Lundgren, J. N. Andersen, R. Nyholm, X. Torrelles, J. Rius, A. Delin, A. Grechnev, O. Eriksson, C. Konvicka, M. Schmid, and P. Varga, “Geometry of the Valence Transition Induced Surface Reconstruction of Sm(0001)”, Phys. Rev. Lett. 88, 136102 (2002)

  8. Alexei Grechnev, Per H. Andersson, Rajeev Ahuja, Olle Eriksson, Marie Vennstrom, and Yvonne Andersson “H-H interaction and structural phase transition in Ti3SnHx”, Phys. Rev. B 66, 235104 (2002)