A new approach to the modelling of local defects in crystals: the reduced Hartree-Fock case

This article is concerned with the derivation and the mathematical study of a new mean-field model for the description of interacting electrons in crystals with local defects. We work with a reduced Hartree-Fock model, obtained from the usual Hartree-Fock model by neglecting the exchange term. First, we recall the definition of the self-consistent Fermi sea of the perfect crystal, which is obtained as a minimizer of some periodic problem, as was shown by Catto, Le Bris and Lions. We also prove some of its properties which were not mentioned before. Then, we define and study in details a nonlinear model for the electrons of the crystal in the presence of a defect. We use formal analogies between the Fermi sea of a perturbed crystal and the Dirac sea in Quantum Electrodynamics in the presence of an external electrostatic field. The latter was recently studied by Hainzl, Lewin, S\'er\'e and Solovej, based on ideas from Chaix and Iracane. This enables us to define the ground state of the self-consistent Fermi sea in the presence of a defect. We end the paper by proving that our model is in fact the thermodynamic limit of the so-called supercell model, widely used in numerical simulations.Comment: Final version, to appear in Comm. Math. Phy

On the lowest eigenvalue of Laplace operators with mixed boundary conditions

In this paper we consider a Robin-type Laplace operator on bounded domains. We study the dependence of its lowest eigenvalue on the boundary conditions and its asymptotic behavior in shrinking and expanding domains. For convex domains we establish two-sided estimates on the lowest eigenvalues in terms of the inradius and of the boundary conditions

On the merit of a Central Limit Theorem-based approximation in statistical physics

The applicability conditions of a recently reported Central Limit Theorem-based approximation method in statistical physics are investigated and rigorously determined. The failure of this method at low and intermediate temperature is proved as well as its inadequacy to disclose quantum criticalities at fixed temperatures. Its high temperature predictions are in addition shown to coincide with those stemming from straightforward appropriate expansions up to (k_B T)^(-2). Our results are clearly illustrated by comparing the exact and approximate temperature dependence of the free energy of some exemplary physical systems.Comment: 12 pages, 1 figur

Ferromagnetic Ordering of Energy Levels for Uq(sl2)U_q(\mathfrak{sl}_2) Symmetric Spin Chains

We consider the class of quantum spin chains with arbitrary $U_q(\mathfrak{sl}_2)$-invariant nearest neighbor interactions, sometimes called $\textrm{SU}_q(2)$ for the quantum deformation of $\textrm{SU}(2)$, for $q>0$. We derive sufficient conditions for the Hamiltonian to satisfy the property we call {\em Ferromagnetic Ordering of Energy Levels}. This is the property that the ground state energy restricted to a fixed total spin subspace is a decreasing function of the total spin. Using the Perron-Frobenius theorem, we show sufficient conditions are positivity of all interactions in the dual canonical basis of Lusztig. We characterize the cone of positive interactions, showing that it is a simplicial cone consisting of all non-positive linear combinations of "cascade operators," a special new basis of $U_q(\mathfrak{sl}_2)$ intertwiners we define. We also state applications to interacting particle processes.Comment: 23 page