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- Sascha Biermann, Alexander I. Poteryaev, A. I. Lichtenstein, Arthur Georges
- Physical review letters
- 2005

A theory of the metal-insulator transition in vanadium dioxide from the high- temperature rutile to the low- temperature monoclinic phase is proposed on the basis of cluster dynamical mean-fieldâ€¦ (More)

- Eva Pavarini, Sascha Biermann, Alexander I. Poteryaev, A. I. Lichtenstein, Arthur Georges, O. K. Andersen
- Physical review letters
- 2004

Using t(2g) Wannier functions, a low-energy Hamiltonian is derived for orthorhombic 3d(1) transition-metal oxides. Electronic correlations are treated with a new implementation of dynamicalâ€¦ (More)

- Ivan Leonov, Alexander I. Poteryaev, Vladimir. I. Anisimov, D Vollhardt
- Physical review letters
- 2011

We compute the equilibrium crystal structure and phase stability of iron at the Î±(bcc)-Î³(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods forâ€¦ (More)

V. I. Anisimov,1,2 A. S. Belozerov,1,2 A. I. Poteryaev,1 and I. Leonov3 1Institute of Metal Physics, Russian Academy of Sciences, 620990 Yekaterinburg, Russia 2Ural Federal University, 620990â€¦ (More)

I. Leonov,1 A. I. Poteryaev,2,3 V. I. Anisimov,2 and D. Vollhardt1 1Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86135â€¦ (More)

- Alexander I. Poteryaev, A. I. Lichtenstein, G. Kotliar
- Physical review letters
- 2004

We present an ab initio quantum theory of the metal-insulator transition in Ti2O3. The recently developed cluster LDA+DMFT scheme is applied to describe the many-body features of this compound. Theâ€¦ (More)

- Alexander S Belozerov, Alexander I. Poteryaev, Sergey L. Skornyakov, Vladimir. I. Anisimov
- Journal of physics. Condensed matter : anâ€¦
- 2015

We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined with the dynamicalâ€¦ (More)

- Sergey V. Streltsov, Alexander I. Poteryaev, Alexey N. Rubtsov
- Journal of physics. Condensed matter : anâ€¦
- 2015

The band structure calculations in the GGA+U approximation show the presence of additional lattice distortions in the magnetically ordered phase of AgCrS2. The magnetostriction leads to the formationâ€¦ (More)

Nb-substituting Fe impurity in KNbO 3 is studied in first-principles supercell calculations by the linear muffin-tin orbital method. Possible ways to account for the impurity charge compensation areâ€¦ (More)

- M. T. Schueler, Stephan Barthel, +5 authors Tim Oliver Wehling
- 2017