Interplay between magnetic properties and Fermi surface nesting in iron pnictides (2008)
Yaresko, A. N., Antonov, V. N., Andersen, O. K.
The doping dependence of magnetic interactions in iron pnictides is studied by performing self-consistent calculations for co-planar spin spirals in LaFeAsO$_{1-x}$F$_x$ and...
The Overlapping Muffin-Tin Approximation (2008)
Zwierzycki, M., Andersen, O. K.
We present the formalism and demonstrate the use of the overlapping muffin-tin approximation (OMTA). This fits a full potential to a superposition of spherically symmetric short-ranged potential...
Turning a nickelate Fermi surface into a cuprate-like one through heterostructuring (2008)
Hansmann, P., Yang, Xiaoping, Toschi, A., Khaliullin, G., Andersen, O. K., Held, K.
Using the local density approximation and its combination with dynamical mean field theory, we show that electronic correlations induce a single sheet cuprate-like Fermi surface for LaNiO3/LaAlO3...
Kent, P. R. C., Saha-Dasgupta, T., Jepsen, O., Andersen, O. K., Macridin, A., Maier, T. A., ...
Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting transition temperature...
The origin of a$_{1g}$ and e$_g$' orderings in Na$_x$CoO$_2$ (2008)
Pillay, D., Johannes, M. D., Mazin, I. I., Andersen, O. K.
It has often been suggested that correlation effects suppress the small e_g' Fermi surface pockets of NaxCoO_2 that are predicted by LDA, but absent in ARPES measurements. It appears that within the...
Coulomb-Enhanced Spin-Orbit Splitting: The Missing Piece in the Sr2RhO4 Puzzle (2008)
Liu, Guo-Qiang, Antonov, V. N., Jepsen, O., Andersen, O. K.
The outstanding discrepancy between the measured and calculated (local-density approximation) Fermi surfaces in the well-characterized, paramagnetic Fermi liquid Sr2RhO4 is resolved by including the...
Bandstructure meets many-body theory: The LDA+DMFT method (2008)
Held, K., Andersen, O. K., Feldbacher, M., Yamasaki, A.
Ab initio calculation of the electronic properties of materials is a major challenge for solid state theory. Whereas the experience of forty years has proven density functional theory (DFT) in a...
Electron-phonon superconductivity in hole-doped diamond: A first-principles study (2006)
Boeri, L., Kortus, J., Andersen, O. K.
In this work we propose that the observed superconductivity in hole-doped diamond is due to an electron-phonon mechanism and substantiate the idea by first-principles full potential LMTO...
Momentum-resolved spectral functions of SrVO3 calculated by LDA+DMFT (2006)
Nekrasov, I. A., Held, K., Keller, G., Kondakov, D. E., Pruschke, T., Kollar, M., ...
LDA+DMFT, the merger of density functional theory in the local density approximation and dynamical mean-field theory, has been mostly employed to calculate k-integrated spectra accessible by...
Pressure-Induced Metal-Insulator Transition in LaMnO3 Is Not of Mott-Hubbard Type (2006)
Yamasaki, A., Feldbacher, M., Yang, Y. F., Andersen, O. K., Held, K.
Calculations employing the local density approximation combined with static and dynamical mean field theories (LDA+U and LDA+DMFT) indicate that the metal-insulator transition observed at 32 GPa in...
Model Hamiltonian parameters for half-metallic ferromagnets NiMnSb and CrO2 (2006)
Yamasaki, A., Chioncel, L., Lichtenstein, A. I., Andersen, O. K.
Lechermann, F., Georges, A., Poteryaev, A., Biermann, S., Posternak, M., Yamasaki, A., ...
A versatile method for combining density functional theory in the local density approximation with dynamical mean-field theory (DMFT) is presented. Starting from a general basis-independent...
Mazin, I.I., Andersen, O.K., Jepsen, O., Golubov, A., Dolgov, O.V., Kortus, J.
Choi et al. [Phys. Rev. B 66, 020513 (2002)] recently presented first-principles calculations of the electron-phonon coupling and superconductivity in MgB2, emphasizing the importance of anisotropy...
Mazin, I. I., Andersen, O. K., Jepsen, O., Golubov, A. A., Dolgov, O. V., Kortus, J.
Choi [Phys. Rev. B 66, 020513 (2002)] recently presented first-principles calculations of the electron-phonon coupling and superconductivity in MgB2, emphasizing the importance of anisotropy and...
Mazin, I.I., Andersen, O.K., Jepsen, O., Golubov, Dr. A., Dolgov, O.V., Kortus, J.
Choi et al. [Phys. Rev. B 66, 020513 (2002)] recently presented first-principles calculations of the electron-phonon coupling and superconductivity in MgB2, emphasizing the importance of anisotropy...
Mazin, I.I., Andersen, O.K., Jepsen, O., Golubov, A.A., Dolgov, O.V., Kortus, J.
Choi et al. [Phys. Rev. B 66, 020513 (2002)] recently presented first-principles calculations of the electron-phonon coupling and superconductivity in MgB2, emphasizing the importance of anisotropy...
Third-generation muffin-tin orbitals (2003)
Andersen, O. K., Saha-Dasgupta, T., Ezhov, S.
By the example Of sp(3)-bonded semiconductors, we illustrate what 3rd-generation muffin-tin orbitals (MTOs) are. We demonstrate that they can be downfolded to smaller and smaller basis sets:...
Nguyen-Manh, D., Saha-Dasgupta, T., Andersen, O. K.
The third-generation LMTO method provides a new wave function basis set in which the energy dependence of the interstitial region and inside muffin-tin (MT) spheres is treated on an equal footing....
Specific heat of MgB2 in a one- and two-band model from first-principels calculations (2002)
Golubov, A., Kortus, J., Dolgov, O.V., Jepsen, O., Kong, Y., Andersen, O.K., ...
Superconductivity in MgB2: Clean or Dirty? (2002)
Mazin, I.I., Andersen, O.K., Jepsen, O., Dolgov, O.V., Kortus, J., Golubov, A., ...
A large number of experimental facts and theoretical arguments favor a two-gap model for superconductivity in MgB2. However, this model predicts strong suppression of the critical temperature by...
Multiband model for tunneling in MgB2 junctions (2002)
Brinkman, A., Golubov, A., Rogalla, H., Dolgov, O.V., Kortus, J., Kong, Y., ...
A theoretical model for quasiparticle and Josephson tunneling in multiband superconductors is developed and applied to MgB2-based junctions. The gap functions in different bands in MgB2 are obtained...
Gautier, R., Andersen, O. K., Gougeon, P., Halet, J. F., Canadell, E., Martin, J. D.
Magnetic and electrical resistivity properties of RMo8O14 (R = La, Ce, Pr, Nd, Sm) compounds containing different bicapped- octahedral Mo-8 clusters are discussed. Extended Huckel (EH) molecular...
Superconductivity in MgB2: Clean or Dirty? (2002)
Mazin, I. I., Andersen, O. K., Jepsen, O., Dolgov, O. V., Kortus, J., Golubov, A. A., ...
A large number of experimental facts and theoretical arguments favor a two-gap model for superconductivity in MgB2. However, this model predicts strong suppression of the critical temperature by...
Contact field trend in hole-doped cuprates (2002)
Pavarini, E., Jepsen, O., Andersen, O. K.
We show that, in hole-doped superconductors, the contact field at Cu site (Cuo(2)-plane) is controlled essentially by the energy of the so-called axial-orbital, a hybrid between Cu 4s, apical...
Multiband model for tunneling in MgB2 junctions (2002)
Brinkman, A., Golubov, A. A., Rogalla, H., Dolgov, O. V., Kortus, J., Kong, Y., ...
A theoretical model for quasiparticle and Josephson tunneling in multiband superconductors is developed and applied to MgB2- based junctions. The gap functions in different bands in MgB2 are obtained...
Specific heat of MgB2 in a one- and a two-band model from first-principles calculations (2002)
Golubov, A. A., Kortus, J., Dolgov, O. V., Jepsen, O., Kong, Y., Andersen, O. K., ...
The heat capacity anomaly at the transition to superconductivity of the layered superconductor MgB2 is compared to first-principles calculations with the Coulomb repulsion, mu*, as the only parameter...
Superconductivity in MgB2: Clean or Dirty? (2002)
Mazin, I.I., Andersen, O.K., Jepsen, O., Dolgov, O.V., Kortus, J., Golubov, Dr. A., ...
A large number of experimental facts and theoretical arguments favor a two-gap model for superconductivity in MgB2. However, this model predicts strong suppression of the critical temperature by...
Multiband model for tunneling in MgB2 junctions (2002)
Brinkman, Dr. Ir. A., Golubov, Dr. A., Rogalla, Prof. H., Dolgov, O.V., Kortus, J., Kong, Y., ...
A theoretical model for quasiparticle and Josephson tunneling in multiband superconductors is developed and applied to MgB2-based junctions. The gap functions in different bands in MgB2 are obtained...
Superconductivity in MgB2: Clean or Dirty? (2002)
Mazin, I.I., Andersen, O.K., Jepsen, O., Dolgov, O.V., Kortus, J., Golubov, A.A., ...
A large number of experimental facts and theoretical arguments favor a two-gap model for superconductivity in MgB2. However, this model predicts strong suppression of the critical temperature by...
Multiband model for tunneling in MgB2 junctions (2002)
Brinkman, A., Golubov, A.A., Rogalla, H., Dolgov, O.V., Kortus, J., Kong, Y., ...
A theoretical model for quasiparticle and Josephson tunneling in multiband superconductors is developed and applied to MgB2-based junctions. The gap functions in different bands in MgB2 are obtained...
Band-Structure Trend in Hole-Doped Cuprates and Correlation with Tcmax (2001)
Pavarini, E., Dasgupta, I., Saha-Dasgupta, T., Jepsen, O., Andersen, O. K.
Quasiparticles in d-wave superconductors within density functional theory (2001)
Szotek, Z., Gyorffy, B. L., Temmerman, W. M., Andersen, O. K., Jepsen, O.
Kondo resonance behavior of heavy fermion f-electron materials (2000)
Allen, J. W., Gweon, G. H., Schek, H. T., Liu, L. Z., Tjeng, L. H., Park, J. H., ...
Developing the MTO formalism (2000)
Andersen, O. K., Saha-Dasgupta, T., Tank, R. W., Arcangeli, C., Jepsen, O., Krier, G.
Van Hove scenario and the eight-band model for high-Tc superconductors. (1998)
Szotek, Z., Gyorffy, B. L., Temmerman, W. M., Andersen, O. K.
Spin-polarized density of states and electron tunnelling from the Co/Al2O3 interface. (1998)
Phillpot, S. R., Nguyen-Manh, D., Tsymbal, E. Y., Pettifor, D. G., Arcangeli, C., Tank, R., ...
Third-generation TB-LMTO. (1998)
Andersen, O. K., Arcangeli, C., Tank, R. W., Saha-Dasgupta, T., Krier, G., Jepsen, O., ...
Quasiparticle spectra of high-temperature superconductors. (1998)
Gyorffy, B. L., Szotek, Z., Temmerman, W. M., Andersen, O. K., Jepsen, O.
Structural phase diagram and electron-phonon interaction in Ba_1-xK_xBIO_3 (1991)
Liechtenstein, A. I., Mazin, I. I., Rodriguez, C. O., Jepsen, O., Andersen, O. K., Methfessel, M.
Electronic Structure of Ordered and Disordered Pd_3 Fe (1990)
Bose, S. K., Kudrnovsky, J., Van Schilfgaarde, M., Blöchl, P., Jepsen, O., Methfessel, M., ...
Electronic structure calculation of point defects in silicon (1987)
Beeler, F., Jepsen, O., Andersen, O. K., Gunnarsson, O., Scheffler, M.
Parameter-free total-energy and force calculations for defects in semiconductors (1987)
Scheffler, M., Beeler, F., Andersen, O. K., Gunnarsson, O., Jepsen, O., Mizera, E.
Electronic structure calculation of 3d-transition metal point defects in silicon (1985)
Beeler, F., Andersen, O. K., Scheffler, M., Johnson, N. M., Bishop, S. G., Watkins, G. D.