Effects of nanoscale spatial inhomogeneity in strongly correlated systems

We calculate ground-state energies and density distributions of Hubbard superlattices characterized by periodic modulations of the on-site interaction and the on-site potential. Both density-matrix renormalization group and density-functional methods are employed and compared. We find that small variations in the on-site potential $v_i$ can simulate, cancel, or even overcompensate effects due to much larger variations in the on-site interaction $U_i$. Our findings highlight the importance of nanoscale spatial inhomogeneity in strongly correlated systems, and call for reexamination of model calculations assuming spatial homogeneity.Comment: 5 pages, 1 table, 4 figures, to appear in PR

Density-functionals not based on the electron gas: Local-density approximation for a Luttinger liquid

By shifting the reference system for the local-density approximation (LDA) from the electron gas to other model systems one obtains a new class of density functionals, which by design account for the correlations present in the chosen reference system. This strategy is illustrated by constructing an explicit LDA for the one-dimensional Hubbard model. While the traditional {\it ab initio} LDA is based on a Fermi liquid (the electron gas), this one is based on a Luttinger liquid. First applications to inhomogeneous Hubbard models, including one containing a localized impurity, are reported.Comment: 4 pages, 4 figures (final version, contains additional applications and discussion; accepted by Phys. Rev. Lett.

Ecological Effects of Fear: How Spatiotemporal Heterogeneity in Predation Risk Influences Mule Deer Access to Forage in a Sky‐Island System

Forage availability and predation risk interact to affect habitat use of ungulates across many biomes. Within sky‐island habitats of the Mojave Desert, increased availability of diverse forage and cover may provide ungulates with unique opportunities to extend nutrient uptake and/or to mitigate predation risk. We addressed whether habitat use and foraging patterns of female mule deer (Odocoileus hemionus) responded to normalized difference vegetation index (NDVI), NDVI rate of change (green‐up), or the occurrence of cougars (Puma concolor). Female mule deer used available green‐up primarily in spring, although growing vegetation was available during other seasons. Mule deer and cougar shared similar habitat all year, and our models indicated cougars had a consistent, negative effect on mule deer access to growing vegetation, particularly in summer when cougar occurrence became concentrated at higher elevations. A seemingly late parturition date coincided with diminishing NDVI during the lactation period. Sky‐island populations, rarely studied, provide the opportunity to determine how mule deer respond to growing foliage along steep elevation and vegetation gradients when trapped with their predators and seasonally limited by aridity. Our findings indicate that fear of predation may restrict access to the forage resources found in sky islands

Probing the two-scale-factor universality hypothesis by exact rotation symmetry-breaking mechanism

We probe the two-scale factor universality hypothesis by evaluating, firstly explicitly and analytically at the one-loop order, the loop quantum corrections to the amplitude ratios for O($N$) $\lambda\phi^{4}$ scalar field theories with rotation symmetry-breaking in three distinct and independent methods in which the rotation symmetry-breaking mechanism is treated exactly. We show that the rotation symmetry-breaking amplitude ratios turn out to be identical in the three methods and equal to their respective rotation symmetry-breaking ones, although the amplitudes themselves, in general, depend on the method employed and on the rotation symmetry-breaking parameter. At the end, we show that all these results can be generalized, through an inductive process based on a general theorem emerging from the exact calculation, to any loop level and physically interpreted based on symmetry ideas.Comment: 17 pages, 3 figure

Predicting Psi-BN: computational insights into its mechanical, electronic, and optical characteristics

Computational materials are pivotal in advancing our understanding of distinct material classes and their properties, offering valuable insights in predicting novel structures and complementing experimental approaches. In this context, Psi-graphene is a stable two-dimensional carbon allotrope composed of 5-6-7 carbon rings theoretically predicted recently. Using density functional theory (DFT) calculations, we explored its boron nitride counterpart's mechanical, electronic, and optical characteristics (Psi-BN). Our results indicate that Psi-BN possesses a band gap of 4.59 eV at the HSE06 level. Phonon calculations and ab initio molecular dynamics simulations demonstrated that this material has excellent structural and dynamic stability. Moreover, its formation energy is -7.48 eV. Psi-BN exhibited strong ultraviolet activity, suggesting its potential as an efficient UV collector. Furthermore, we determined critical mechanical properties of Psi-BN, such as the elastic stiffness constants, Young's modulus (250-300 GPa), and Poisson ratio (0.7), providing valuable insights into its mechanical behavior.Comment: 13 pages, 7 figure

TODD-Graphene: A Novel Porous 2D Carbon Allotrope for High-Performance Lithium-Ion Batteries

The class of 2D carbon allotropes has garnered significant attention due to its exceptional optoelectronic and mechanical properties, crucial for diverse device applications, such as energy storage. This study employs density functional theory calculations, ab initio molecular dynamics (AIMD), and classical reactive (ReaxFF) molecular dynamics (MD) simulations to introduce TODD-Graphene, a novel 2D planar carbon allotrope with a porous structure composed of 3-8-10-12 carbon rings. TODD-G exhibits intrinsic metallic properties with low formation energy and demonstrates exceptional dynamic, thermal, and mechanical stability. Calculations reveal a high theoretical capacity for adsorbing Li atoms by showing a low average diffusion barrier of 0.83 eV and a metallic framework boasting excellent conductivity, emerging as a promising anode material for lithium-ion batteries. We also calculated the charge carrier mobility for electrons and holes in TOOD-G, and the values surpassed the graphene ones. Classical reactive MD simulation results suggested its structural integrity with no bond reconstructions at 1800 K.Comment: 21 pages, 11 figure

Black Hole Formation with an Interacting Vacuum Energy Density

We discuss the gravitational collapse of a spherically symmetric massive core of a star in which the fluid component is interacting with a growing vacuum energy density. The influence of the variable vacuum in the collapsing core is quantified by a phenomenological \beta-parameter as predicted by dimensional arguments and the renormalization group approach. For all reasonable values of this free parameter, we find that the vacuum energy density increases the collapsing time but it cannot prevent the formation of a singular point. However, the nature of the singularity depends on the values of \beta. In the radiation case, a trapped surface is formed for \beta<1/2 whereas for \beta>1/2, a naked singularity is developed. In general, the critical value is \beta=1-2/3(1+\omega), where the \omega-parameter describes the equation of state of the fluid component.Comment: 9 pages, 8 figure

On Matrix Superpotential and Three-Component Normal Modes

We consider the supersymmetric quantum mechanics (SUSY QM) with three- component normal modes for the Bogomol'nyi-Prasad-Sommerfield (BPS) states. An explicit form of the SUSY QM matrix superpotential is presented and the corresponding three-component bosonic zero-mode eigenfunction is investigated.Comment: 17 pages, no figure. Paper accepted for publication in Journal of Physics A: Mathematical and Theoretica

Magnetic phases evolution in the LaMn1-xFexO3+y system

We have investigated the crystal structure and magnetic properties for polycrystalline samples of LaMn1-xFexO3+y, in the whole range x=0.0 to x=1.0, prepared by solid state reaction in air. All samples show the ORT-2 orthorhombic structure that suppresses the Jahn-Teller distortion, thus favoring a ferromagnetic (FM) superexchange (SE) interaction between Mn^{3+}-O-Mn^{3+}. For x=0.0 the oxygen excess (y ~ 0.09) produces vacancies in the La and Mn sites and generates a fraction around 18% of Mn^{4+} ions and 82% of the usual Mn^{3+} ions, with possible double exchange interaction between them. The Fe doping in this system is known to produce only stable Fe^{3+} ions. We find an evolution from a fairly strong FM phase with a Curie temperature T_{C} ~ 160 K, for x=0.0, to an antiferromagnetic (AFM) phase with T_{N} = 790 K, for x=1.0, accompanied by clear signatures of a cluster-glass behavior. For intermediate Fe contents a mixed-phase state occurs, with a gradual decrease (increase) of the FM (AFM) phase, accompanied by a systematic transition broadening for 0.2 < x < 0.7. A model based on the expected exchange interaction among the various magnetic-ion types, accounts very well for the saturation-magnetization dependence on Fe doping.Comment: 27 pages, 9 figure