Origin of the orbital and spin orderings in rare-earth titanates

Rare-earth titanates RTiO$_3$ are Mott insulators displaying a rich physical behavior, featuring most notably orbital and spin orders in their ground state. The origin of their ferromagnetic to antiferromagnetic transition as a function of the size of the rare-earth however remains debated. Here we show on the basis of symmetry analysis and first-principles calculations that although rare-earth titanates are nominally Jahn-Teller active, the Jahn-Teller distortion is negligible and irrelevant for the description of the ground state properties. At the same time, we demonstrate that the combination of two antipolar motions produces an effective Jahn-Teller-like motion which is the key of the varying spin-orbital orders appearing in titanates. Thus, titanates are prototypical examples illustrating how a subtle interplay between several lattice distortions commonly appearing in perovskites can produce orbital orderings and insulating phases irrespective of proper Jahn-Teller motions.Comment: Accepted in Physical Review

Canonized Rewriting and Ground AC Completion Modulo Shostak Theories : Design and Implementation

AC-completion efficiently handles equality modulo associative and commutative function symbols. When the input is ground, the procedure terminates and provides a decision algorithm for the word problem. In this paper, we present a modular extension of ground AC-completion for deciding formulas in the combination of the theory of equality with user-defined AC symbols, uninterpreted symbols and an arbitrary signature disjoint Shostak theory X. Our algorithm, called AC(X), is obtained by augmenting in a modular way ground AC-completion with the canonizer and solver present for the theory X. This integration rests on canonized rewriting, a new relation reminiscent to normalized rewriting, which integrates canonizers in rewriting steps. AC(X) is proved sound, complete and terminating, and is implemented to extend the core of the Alt-Ergo theorem prover.Comment: 30 pages, full version of the paper TACAS'11 paper "Canonized Rewriting and Ground AC-Completion Modulo Shostak Theories" accepted for publication by LMCS (Logical Methods in Computer Science

AC-KBO Revisited

Equational theories that contain axioms expressing associativity and commutativity (AC) of certain operators are ubiquitous. Theorem proving methods in such theories rely on well-founded orders that are compatible with the AC axioms. In this paper we consider various definitions of AC-compatible Knuth-Bendix orders. The orders of Steinbach and of Korovin and Voronkov are revisited. The former is enhanced to a more powerful version, and we modify the latter to amend its lack of monotonicity on non-ground terms. We further present new complexity results. An extension reflecting the recent proposal of subterm coefficients in standard Knuth-Bendix orders is also given. The various orders are compared on problems in termination and completion.Comment: 31 pages, To appear in Theory and Practice of Logic Programming (TPLP) special issue for the 12th International Symposium on Functional and Logic Programming (FLOPS 2014

12th International Workshop on Termination (WST 2012) : WST 2012, February 19–23, 2012, Obergurgl, Austria / ed. by Georg Moser

This volume contains the proceedings of the 12th International Workshop on Termination (WST 2012), to be held February 19–23, 2012 in Obergurgl, Austria. The goal of the Workshop on Termination is to be a venue for presentation and discussion of all topics in and around termination. In this way, the workshop tries to bridge the gaps between different communities interested and active in research in and around termination. The 12th International Workshop on Termination in Obergurgl continues the successful workshops held in St. Andrews (1993), La Bresse (1995), Ede (1997), Dagstuhl (1999), Utrecht (2001), Valencia (2003), Aachen (2004), Seattle (2006), Paris (2007), Leipzig (2009), and Edinburgh (2010). The 12th International Workshop on Termination did welcome contributions on all aspects of termination and complexity analysis. Contributions from the imperative, constraint, functional, and logic programming communities, and papers investigating applications of complexity or termination (for example in program transformation or theorem proving) were particularly welcome. We did receive 18 submissions which all were accepted. Each paper was assigned two reviewers. In addition to these 18 contributed talks, WST 2012, hosts three invited talks by Alexander Krauss, Martin Hofmann, and Fausto Spoto

Ordering constraints on trees

We survey recent results about ordering constraints on trees and discuss their applications. Our main interest lies in the family of recursive path orderings which enjoy the properties of being total, well-founded and compatible with the tree constructors. The paper includes some new results, in particular the undecidability of the theory of lexicographic path orderings in case of a non-unary signature

Multiorbital kinetic effects on charge ordering of frustrated electrons on the triangular lattice

The role of the multiorbital effects on the emergence of frustrated electronic orders on the triangular lattice at half filling is investigated through an extended spinless fermion Hubbard model. By using two complementary approaches, unrestricted Hartree-Fock and exact diagonalizations, we unravel a very rich phase diagram controlled by the strength of both local and off-site Coulomb interactions and by the interorbital hopping anisotropy ratio $t'/t$. Three robust unconventional electronic phases, a pinball liquid, an inverse pinball liquid, and a large-unit-cell $\sqrt{12} \times \sqrt{12}$ droplet phase, are found to be generic in the triangular geometry, being controlled by the band structure parameters. The latter are also stabilized in the isotropic limit of our microscopic model, which recovers the standard SU(2) spinful extended single-band Hubbard model.Comment: 10 pages, 6 figure

Enhanced sharing analysis techniques: a comprehensive evaluation

Sharing, an abstract domain developed by D. Jacobs and A. Langen for the analysis of logic programs, derives useful aliasing information. It is well-known that a commonly used core of techniques, such as the integration of Sharing with freeness and linearity information, can significantly improve the precision of the analysis. However, a number of other proposals for refined domain combinations have been circulating for years. One feature that is common to these proposals is that they do not seem to have undergone a thorough experimental evaluation even with respect to the expected precision gains. In this paper we experimentally evaluate: helping Sharing with the definitely ground variables found using Pos, the domain of positive Boolean formulas; the incorporation of explicit structural information; a full implementation of the reduced product of Sharing and Pos; the issue of reordering the bindings in the computation of the abstract mgu; an original proposal for the addition of a new mode recording the set of variables that are deemed to be ground or free; a refined way of using linearity to improve the analysis; the recovery of hidden information in the combination of Sharing with freeness information. Finally, we discuss the issue of whether tracking compoundness allows the computation of more sharing information