Quasiparticle Self-Consistent GW Theory

In past decades the scientific community has been looking for a reliable first-principles method to predict the electronic structure of solids with high accuracy. Here we present an approach which we call the quasiparticle self-consistent GW approximation (QpscGW). It is based on a kind of self-consistent perturbation theory, where the self-consistency is constructed to minimize the perturbation. We apply it to selections from different classes of materials, including alkali metals, semiconductors, wide band gap insulators, transition metals, transition metal oxides, magnetic insulators, and rare earth compounds. Apart some mild exceptions, the properties are very well described, particularly in weakly correlated cases. Self-consistency dramatically improves agreement with experiment, and is sometimes essential. Discrepancies with experiment are systematic, and can be explained in terms of approximations made.Comment: 12 pages, 3 figure

Heusler-based synthetic antiferrimagnets

Antiferromagnet spintronic devices eliminate or mitigate long-range dipolar fields, thereby promising ultrafast operation. For spin transport electronics, one of the most successful strategies is the creation of metallic synthetic antiferromagnets, which, to date, have largely been formed from transition metals and their alloys. Here, we show that synthetic antiferrimagnetic sandwiches can be formed using exchange coupling spacer layers composed of atomically ordered RuAl layers and ultrathin, perpendicularly magnetized, tetragonal ferrimagnetic Heusler layers. Chemically ordered RuAl layers can both be grown on top of a Heusler layer and allow for the growth of ordered Heusler layers deposited on top of it that are as thin as one unit cell. The RuAl spacer layer gives rise to a thickness-dependent oscillatory interlayer coupling with an oscillation period of ~1.1 nm. The observation of ultrathin ordered synthetic antiferrimagnets substantially expands the family of synthetic antiferromagnets and magnetic compounds for spintronic technologies

Bound States in Time-Dependent Quantum Transport: Oscillations and Memory Effects in Current and Density

The presence of bound states in a nanoscale electronic system attached to two biased, macroscopic electrodes is shown to give rise to persistent, non-decaying, localized current oscillations which can be much larger than the steady part of the current. The amplitude of these oscillations depends on the entire history of the applied potential. The bound-state contribution to the {\em static} density is history-dependent as well. Moreover, the time-dependent formulation leads to a natural definition of the bound-state occupations out of equilibrium.Comment: 4 pages, 3 figure

Summing Divergent Perturbative Series in a Strong Coupling Limit. The Gell-Mann - Low Function of the \phi^4 Theory

An algorithm is proposed for determining asymptotics of the sum of a perturbative series in the strong coupling limit using given values of the expansion coefficients. Operation of the algorithm is illustrated by test examples, method for estimating errors is developed, and an optimization procedure is described. Application of the algorithm to the $\phi^4$ theory gives a behavior $\beta(g)\approx 7.4 g^{0.96}$ at large $g$ for its Gell-Mann -- Low function. The fact that the exponent is close to unity can be interpreted as a manifestation of the logarithmic branching of the type $\beta(g)\sim g (\ln g)^{-\gamma}$ (with $\gamma\approx 0.14$), which is confirmed by independent evidence. In any case, the $\phi^4$ theory is internally consistent. The procedure of summing perturbartive series with arbitrary values of expansion parameter is discussed.Comment: 23 pages, PD

High orders of perturbation theory: are renormalons significant?

According to Lipatov, the high orders of perturbation theory are determined by saddle-point configurations (instantons) of the corresponding functional integrals. According to t'Hooft, some individual large diagrams, renormalons, are also significant and they are not contained in the Lipatov contribution. The history of the conception of renormalons is presented, and the arguments in favor of and against their significance are discussed. The analytic properties of the Borel transforms of functional integrals, Green functions, vertex parts, and scaling functions are investigated in the case of \phi^4 theory. Their analyticity in a complex plane with a cut from the first instanton singularity to infinity (the Le Guillou - Zinn-Justin hypothesis) is proved. It rules out the existence of the renormalon singularities pointed out by t'Hooft and demonstrates the nonconstructiveness of the conception of renormalons as a whole. The results can be interpreted as an indication of the internal consistency of \phi^4 theory.Comment: 28 pages, 8 figures include