Ursell operators in statistical physics of dense systems: the role of high order operators and of exchange cycles

The purpose of this article is to discuss cluster expansions in dense quantum systems as well as their interconnection with exchange cycles. We show in general how the Ursell operators of order 3 or more contribute to an exponential which corresponds to a mean-field energy involving the second operator U2, instead of the potential itself as usual. In a first part, we consider classical statistical mechanics and recall the relation between the reducible part of the classical cluster integrals and the mean-field; we introduce an alternative method to obtain the linear density contribution to the mean-field, which is based on the notion of tree-diagrams and provides a preview of the subsequent quantum calculations. We then proceed to study quantum particles with Boltzmann statistics (distinguishable particles) and show that each Ursell operator Un with n greater or equal to 3 contains a ``tree-reducible part'', which groups naturally with U2 through a linear chain of binary interactions; this part contributes to the associated mean-field experienced by particles in the fluid. The irreducible part, on the other hand, corresponds to the effects associated with three (or more) particles interacting all together at the same time. We then show that the same algebra holds in the case of Fermi or Bose particles, and discuss physically the role of the exchange cycles, combined with interactions. Bose condensed systems are not considered at this stage. The similarities and differences between Boltzmann and quantum statistics are illustrated by this approach, in contrast with field theoretical or Green's functions methods, which do not allow a separate study of the role of quantum statistics and dynamics.Comment: 31 pages, 7 figure

Landau levels, response functions and magnetic oscillations from a generalized Onsager relation

A generalized semiclassical quantization condition for cyclotron orbits was recently proposed by Gao and Niu \cite{Gao}, that goes beyond the Onsager relation \cite{Onsager}. In addition to the integrated density of states, it formally involves magnetic response functions of all orders in the magnetic field. In particular, up to second order, it requires the knowledge of the spontaneous magnetization and the magnetic susceptibility, as was early anticipated by Roth \cite{Roth}. We study three applications of this relation focusing on two-dimensional electrons. First, we obtain magnetic response functions from Landau levels. Second we obtain Landau levels from response functions. Third we study magnetic oscillations in metals and propose a proper way to analyze Landau plots (i.e. the oscillation index $n$ as a function of the inverse magnetic field $1/B$) in order to extract quantities such as a zero-field phase-shift. Whereas the frequency of $1/B$-oscillations depends on the zero-field energy spectrum, the zero-field phase-shift depends on the geometry of the cell-periodic Bloch states via two contributions: the Berry phase and the average orbital magnetic moment on the Fermi surface. We also quantify deviations from linearity in Landau plots (i.e. aperiodic magnetic oscillations), as recently measured in surface states of three-dimensional topological insulators and emphasized by Wright and McKenzie \cite{Wright}.Comment: 31 pages, 8 figures; v2: SciPost style; v3: several references added, small corrections, typos fixed; v4: abstract changed, generalized quantization condition called Roth-Gao-Niu; v5: minor modifications, 2 references adde

Large amplitude spin waves in ultra-cold gases

We discuss the theory of spin waves in non-degenerate ultra-cold gases, and compare various methods which can be used to obtain appropriate kinetic equations. We then study non-hydrodynamic situations, where the amplitude of spin waves is sufficiently large to bring the system far from local equilibrium. In the first part of the article, we compare two general methods which can be used to derive a kinetic equation for a dilute gas of atoms (bosons or fermions) with two internal states (treated as a pseudo-spin 1/2). The collisional methods are in the spirit of Boltzmann's original derivation of his kinetic equation where, at each point of space, the effects of all sorts of possible binary collisions are added. We discuss two different versions of collisional methods, the Yvon-Snider approach and the S matrix approach. The second method uses the notion of mean field, which modifies the drift term of the kinetic equation, in the line of the Landau theory of transport in quantum liquids. For a dilute cold gas, it turns out that all these derivations lead to the same drift terms in the transport equation, but differ in the precise expression of the collision integral and in higher order gradient terms. In the second part of the article, the kinetic equation is applied to spin waves in trapped ultra-cold gases. Numerical simulations are used to illustrate the strongly non-hydrodynamic character of the spin waves recently observed with trapped Rb87 atoms. The decay of the phenomenon, which takes place when the system relaxes back towards equilibrium, is also discussed, with a short comment on decoherence.Comment: To appear in Eur. Phys. J.

Tunable orbital susceptibility in α\alpha-T3{\cal T}_3 tight-binding models

We study the importance of interband effects on the orbital susceptibility of three bands $\alpha$-${\cal T}_3$ tight-binding models. The particularity of these models is that the coupling between the three energy bands (which is encoded in the wavefunctions properties) can be tuned (by a parameter $\alpha$) without any modification of the energy spectrum. Using the gauge-invariant perturbative formalism that we have recently developped, we obtain a generic formula of the orbital susceptibility of $\alpha$-${\cal T}_3$ tight-binding models. Considering then three characteristic examples that exhibit either Dirac, semi-Dirac or quadratic band touching, we show that by varying the parameter $\alpha$ and thus the wavefunctions interband couplings, it is possible to drive a transition from a diamagnetic to a paramagnetic peak of the orbital susceptibility at the band touching. In the presence of a gap separating the dispersive bands, we show that the susceptibility inside the gap exhibits a similar dia to paramagnetic transition.Comment: 15 pages,5 figs. Proceedings of the International Workshop on Dirac Electrons in Solids 2015Proceedings of the International Workshop on Dirac Electrons in Solids 201

Quasiparticle band structure based on a generalized Kohn-Sham scheme

We present a comparative full-potential study of generalized Kohn-Sham schemes (gKS) with explicit focus on their suitability as starting point for the solution of the quasiparticle equation. We compare $G_0W_0$ quasiparticle band structures calculated upon LDA, sX, HSE03, PBE0, and HF functionals for exchange and correlation (XC) for Si, InN and ZnO. Furthermore, the HSE03 functional is studied and compared to the GGA for 15 non-metallic materials for its use as a starting point in the calculation of quasiparticle excitation energies. For this case, also the effects of selfconsistency in the $GW$ self-energy are analysed. It is shown that the use of a gKS scheme as a starting point for a perturbative QP correction can improve upon the deficiencies found for LDA or GGA staring points for compounds with shallow $d$ bands. For these solids, the order of the valence and conduction bands is often inverted using local or semi-local approximations for XC, which makes perturbative $G_0W_0$ calculations unreliable. The use of a gKS starting point allows for the calculation of fairly accurate band gaps even in these difficult cases, and generally single-shot $G_0W_0$ calculations following calculations using the HSE03 functional are very close to experiment

Cumulative identical spin rotation effects in collisionless trapped atomic gases

We discuss the strong spin segregation in a dilute trapped Fermi gas recently observed by Du et al. with "anomalous" large time scale and amplitude. In a collisionless regime, the atoms oscillate rapidly in the trap and average the inhomogeneous external field in an energy dependent way, which controls their transverse spin precession frequency. During interactions between atoms with different spin directions, the identical spin rotation effect (ISRE) transfers atoms to the up or down spin state, depending on their motional energy. Since low energy atoms are closer to the center of the trap than high energy atoms, the final outcome is a strong correlation between spins and positions.Comment: 4 pages, 2 figures; v2: comparison to experimental data adde