On the construction of Wannier functions in topological insulators: the 3D case

We investigate the possibility of constructing exponentially localized composite Wannier bases, or equivalently smooth periodic Bloch frames, for 3-dimensional time-reversal symmetric topological insulators, both of bosonic and of fermionic type, so that the bases in question are also compatible with time-reversal symmetry. This problem is translated in the study, of independent interest, of homotopy classes of continuous, periodic, and time-reversal symmetric families of unitary matrices. We identify three $\mathbb{Z}_2$-valued complete invariants for these homotopy classes. When these invariants vanish, we provide an algorithm which constructs a "multi-step" logarithm that is employed to continuously deform the given family into a constant one, identically equal to the identity matrix. This algorithm leads to a constructive procedure to produce the composite Wannier bases mentioned above.Comment: 29 pages. Version 2: minor corrections of misprints, corrected proofs of Theorems 2.4 and 2.9, added references. Accepted for publication in Annales Henri Poicar\'

Index Information Algorithm with Local Tuning for Solving Multidimensional Global Optimization Problems with Multiextremal Constraints

Multidimensional optimization problems where the objective function and the constraints are multiextremal non-differentiable Lipschitz functions (with unknown Lipschitz constants) and the feasible region is a finite collection of robust nonconvex subregions are considered. Both the objective function and the constraints may be partially defined. To solve such problems an algorithm is proposed, that uses Peano space-filling curves and the index scheme to reduce the original problem to a H\"{o}lder one-dimensional one. Local tuning on the behaviour of the objective function and constraints is used during the work of the global optimization procedure in order to accelerate the search. The method neither uses penalty coefficients nor additional variables. Convergence conditions are established. Numerical experiments confirm the good performance of the technique.Comment: 29 pages, 5 figure

Testing a quintessence model with CMBR peaks locations

We show that a model of quintessence with exponential potential, which allows to obtain general exact solutions, can generate location of CMBR peaks which are fully compatible with present observational data

Testing a quintessence model with CMBR peaks location

We show that a model of quintessence with exponential potential, which allows to obtain general exact solutions, can generate locations of CMBR peaks which are fully compatible with present observational dataComment: 7 pages, no figure

Parseval frames of exponentially localized magnetic Wannier functions

Motivated by the analysis of gapped periodic quantum systems in presence of a uniform magnetic field in dimension $d \le 3$, we study the possibility to construct spanning sets of exponentially localized (generalized) Wannier functions for the space of occupied states. When the magnetic flux per unit cell satisfies a certain rationality condition, by going to the momentum-space description one can model $m$ occupied energy bands by a real-analytic and $\mathbb Z^{d}$-periodic family $\{P({\bf k})\}_{{\bf k} \in \mathbb R^{d}}$ of orthogonal projections of rank $m$. A moving orthonormal basis of $\mathrm{Ran} P({\bf k})$ consisting of real-analytic and $\mathbb Z^d$-periodic Bloch vectors can be constructed if and only if the first Chern number(s) of $P$ vanish(es). Here we are mainly interested in the topologically obstructed case. First, by dropping the generating condition, we show how to algorithmically construct a collection of $m-1$ orthonormal, real-analytic, and periodic Bloch vectors. Second, by dropping the linear independence condition, we construct a Parseval frame of $m+1$ real-analytic and periodic Bloch vectors which generate $\mathrm{Ran} P({\bf k})$. Both algorithms are based on a two-step logarithm method which produces a moving orthonormal basis in the topologically trivial case. A moving Parseval frame of analytic, periodic Bloch vectors corresponds to a Parseval frame of exponentially localized composite Wannier functions. We extend this construction to the case of magnetic Hamiltonians with an irrational magnetic flux per unit cell and show how to produce Parseval frames of exponentially localized generalized Wannier functions also in this setting. Our results are illustrated in crystalline insulators modelled by $2d$ discrete Hofstadter-like Hamiltonians, but apply to certain continuous models of magnetic Schr\"{o}dinger operators as well.Comment: 40 pages. Improved exposition and minor corrections. Final version matches published paper on Commun. Math. Phy

Beyond Diophantine Wannier diagrams: Gap labelling for Bloch-Landau Hamiltonians

It is well known that, given a $2d$ purely magnetic Landau Hamiltonian with a constant magnetic field $b$ which generates a magnetic flux $\varphi$ per unit area, then any spectral island $\sigma_b$ consisting of $M$ infinitely degenerate Landau levels carries an integrated density of states $\mathcal{I}_b=M \varphi$. Wannier later discovered a similar Diophantine relation expressing the integrated density of states of a gapped group of bands of the Hofstadter Hamiltonian as a linear function of the magnetic field flux with integer slope. We extend this result to a gap labelling theorem for any $2d$ Bloch-Landau operator $H_b$ which also has a bounded $\mathbb{Z}^2$-periodic electric potential. Assume that $H_b$ has a spectral island $\sigma_b$ which remains isolated from the rest of the spectrum as long as $\varphi$ lies in a compact interval $[\varphi_1,\varphi_2]$. Then $\mathcal{I}_b=c_0+c_1\varphi$ on such intervals, where the constant $c_0\in \mathbb{Q}$ while $c_1\in \mathbb{Z}$. The integer $c_1$ is the Chern marker of the spectral projection onto the spectral island $\sigma_b$. This result also implies that the Fermi projection on $\sigma_b$, albeit continuous in $b$ in the strong topology, is nowhere continuous in the norm topology if either $c_1\ne0$ or $c_1=0$ and $\varphi$ is rational. Our proofs, otherwise elementary, do not use non-commutative geometry but are based on gauge covariant magnetic perturbation theory which we briefly review for the sake of the reader. Moreover, our method allows us to extend the analysis to certain non-covariant systems having slowly varying magnetic fields.Comment: 20 pages, no figures. Appendix C added. Final version accepted for publication in Journal of the European Mathematical Societ

Phase behavior of polydisperse sticky hard spheres: analytical solutions and perturbation theory

We discuss phase coexistence of polydisperse colloidal suspensions in the presence of adhesion forces. The combined effect of polydispersity and Baxter's sticky-hard-sphere (SHS) potential, describing hard spheres interacting via strong and very short-ranged attractive forces, give rise, within the Percus-Yevick (PY) approximation, to a system of coupled quadratic equations which, in general, cannot be solved either analytically or numerically. We review and compare two recent alternative proposals, which we have attempted to by-pass this difficulty. In the first one, truncating the density expansion of the direct correlation functions, we have considered approximations simpler than the PY one. These $C_{n}$ approximations can be systematically improved. We have been able to provide a complete analytical description of polydisperse SHS fluids by using the simplest two orders $C_{0}$ and $C_{1}$, respectively. Such a simplification comes at the price of a lower accuracy in the phase diagram, but has the advantage of providing an analytical description of various new phenomena associated with the onset of polydispersity in phase equilibria (e.g. fractionation). The second approach is based on a perturbative expansion of the polydisperse PY solution around its monodisperse counterpart. This approach provides a sound approximation to the real phase behavior, at the cost of considering only weak polydispersity. Although a final seattlement on the soundness of the latter method would require numerical simulations for the polydisperse Baxter model, we argue that this approach is expected to keep correctly into account the effects of polydispersity, at least qualitatively.Comment: 12 pages, 4 figures, to appear in Molec. Phys. special issue Liblice 200

On the compressibility equation of state for multicomponent adhesive hard sphere fluids

The compressibility equation of state for a multicomponent fluid of particles interacting via an infinitely narrow and deep potential, is considered within the mean spherical approximation (MSA). It is shown that for a class of models leading to a particular form of the Baxter functions $q_{ij}(r)$ containing density-independent stickiness coefficient, the compressibility EOS does not exist, unlike the one-component case. The reason for this is that a direct integration of the compressibility at fixed composition, cannot be carried out due to the lack of a reciprocity relation on the second order partial derivatives of the pressure with respect to two different densities. This is, in turn, related to the inadequacy of the MSA. A way out to this drawback is presented in a particular example, leading to a consistent compressibility pressure, and a possible generalization of this result is discussed.Comment: 13 pages, no figures, accepted for publication Molec. Physics (2002