arXiv subjects

Sergey Yu. Savrasov

Publications and source records attributed to Sergey Yu. Savrasov.

3 recordsLinked to original sources

arXiv2011

Multiple Quantum Phase Transitions of Plutonium compounds

We show by quantum Monte Carlo simulations of realistic Kondo lattice models derived from electronic--structure calculations that multiple quantum critical points can be realized in Plutonium--based materials. We place representative systems including PuCoGa5 on a realistic Doniach phase diagram and identify the regions where the magnetically mediated superconductivity could occur. Solution of an inverse problem to restore the quasiparticle renormalization factor for f-electrons is shown to be sufficiently good to predict the trends among Sommerfeld coefficients and magnetism. Suggestion on the possible experimental verification for this scenario is given for PuAs.

cond-mat.str-el↗

arXiv2010

Dimensional trend in CePt2In7, Ce-115 compounds, and CeIn3

We present realistic Kondo-lattice simulation results for the recently-discovered heavy-fermion antiferromagnet CePt2In7 comparing with its three-dimensional counterpart CeIn3 and the less two-dimensional ones, Ce-115's. We find that the distance to the magnetic quantum critical point is the largest for CeIn3 and the smallest for Ce-115's, and CePt2In7 falls in between. We argue that the trend in quasi-two-dimensional materials stems from the frequency dependence of the hybridization between Cerium 4f-electrons and the conduction bands.

cond-mat.str-el↗

arXiv2009

Ground State Properties of Simple Elements from GW Calculations

A novel self-consistent implementation of Hedin's GW perturbation theory is introduced. This finite-temperature method uses Hartree-Fock wave functions to represent Green's function. GW equations are solved with full potential linear augmented plane wave (FLAPW) method at each iteration of a self-consistent cycle. With our approach we are able to calculate total energy as a function of the lattice parameter. Ground state properties calculated for Na, Al, and Si compare well with experimental data.

cond-mat.str-el↗