Sergey Y. Savrasov

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates

Xiangang Wan, Ari Turner, Ashvin Vishwanath, Sergey Y. Savrasov National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China Department of Physics, University of California, Berkeley, CA 94720 3 Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley CA 94720. Department of Physics, University of California, Davis, One Shields Avenue, Davis, CA 95616.

Electronic structure calculations with dynamical mean-field theory

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly{correlated materials where the one{electron description breaks down. We illustrate the method with several examples where interactions play a dominant role: systems near metal{insulator transition, systems near volume collapse transition, and systems with local moments.

Linear-response theory and lattice dynamics: A muffin-tin-orbital approach.

A detailed description of a method for calculating static linear-response functions in the problem of lattice dynamics is presented. The method is based on density functional theory and it uses linear muffin-tin orbitals as a basis for representing first-order corrections to the one-electron wave functions. As an application we calculate phonon dispersions in Si and NbC and find good agreement with experiments.

Electron-phonon interactions and related physical properties of metals from linear-response theory

Spectral distribution functions of electron-phonon interaction

Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaFeAsO

{\mathrm{\ensuremath{\alpha}}}^{2}

Electronic structure and elastic properties of strongly correlated metal oxides from first principles : LSDA + U, SIC-LSDA and EELS study of UO2 and NiO

F(\ensuremath{\omega}) obtained by ab initio linear-response calculations are used to describe various superconducting and transport properties in a number of elemental metals such as Al, Cu, Mo, Nb, Pb, Pd, Ta, and V. Their lattice dynamics and self-consistently screened electron-phonon coupling are evaluated within local density functional theory and using a linear-muffin-tin-orbital basis set. We compare our theoretical

Ground State Theory of {delta}-Pu

{\mathrm{\ensuremath{\alpha}}}^{2}

Electron-phonon superconductivity near charge-density-wave instability in LaO0.5F0.5BiS2: Density-functional calculations

F(\ensuremath{\omega}) with those deduced from the tunneling measurements and find a close agreement between them. Temperature-dependent electrical and thermal resistivities as well as transport constants

Origin of low thermal conductivity in nuclear fuels.

{\ensuremath{\lambda}}_{\mathrm{tr}}

Understanding STM images and EELS spectra of oxides with strongly correlated electrons: a comparison of nickel and uranium oxides

also agree well with the experimental data. The values of