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We assess the capabilities of hydrodynamic density functional theory (DFT) to predict mass transfer across vapor-liquid interfaces by studying the response of an initially equilibrated pure component vapor-liquid system to the localized…

Chemical Physics · Physics 2025-07-08 B. Bursik , F. Bender , R. Stierle , G. Bauer , J. Gross

To date, density functional theory (DFT) is one of the most accurate and yet practical theory to gain insight about materials properties. Although successful, the computational cost is the main hurdle even today. A way out is combining DFT…

Materials Science · Physics 2019-04-19 Shweta Mehta , Sheena Agarwal , Kavita Joshi

Discrete scale invariance (DSI) is a phenomenon featuring intriguing log-periodicity which can be rarely observed in quantum systems. Here we report the log-periodic quantum oscillations in the magnetoresistance (MR) and the Hall traces of…

The physical properties of crystals are governed by their symmetry according to Neumann's principle. However, we present a case that contradicts this principle wherein the polarization is not invariant under its symmetry. We term this…

Materials Science · Physics 2023-04-25 Junyi Ji , Guoliang Yu , Changsong Xu , H. J. Xiang

One-dimensional systems---ranging from travelling light to circuit cables and from DNA to superstrings---are ubiquitous and critically important to the human knowledge of the universe. However, our engagement with one-dimensional systems in…

Statistical Mechanics · Physics 2020-08-18 Weiguo Yin

The magnetic and thermodynamic properties of spin-1/2 Heisenberg diamond chains are investigated in three different cases: (a) J1, J2, J3>0 (frustrated); (b) J1, J3<0, J2>0 (frustrated); and (c) J1, J2>0, J3<0 (non-frustrated). The density…

Strongly Correlated Electrons · Physics 2009-11-13 Bo Gu , Gang Su

The realization of idea of time-scale invariance for relaxation processes in liquids has been performed by the memory functions formalism. The best agreement with experimental data for the dynamic structure factor $S(k,\omega)$ of liquid…

Statistical Mechanics · Physics 2009-11-07 R. M. Yulmetyev , A. V. Mokshin , P. Hänggi , V. Yu. Shurygin

We analyze the Callan-Symanzik equations when scale invariance at a nontrivial infrared (IR) fixed point $\alpha^{}_{\mathrm{IR}}$ is realized in the Nambu-Goldstone (NG) mode. As a result, Green's functions at $\alpha^{}_{\mathrm{IR}}$ do…

High Energy Physics - Phenomenology · Physics 2019-11-20 O. Catà , R. J. Crewther , Lewis C. Tunstall

To gain insight into the physics of the metal insulator transition and the effectiveness of cluster dynamical mean field theory (DMFT) we have used one, two and four site dynamical mean field theory to solve a polaron model of electrons…

Strongly Correlated Electrons · Physics 2015-05-13 Chungwei Lin , Andrew J. Millis

The thermal emissivity spectrum in the mid infrared range (3 to 21 $\mu$m) as well as its dependence on temperature between 225 and 320 $^{\circ}$C has been obtained for the Mg-51%Zn (weight %) eutectic alloy, a candidate for thermal…

Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…

Materials Science · Physics 2023-08-29 Zhen-Fei Liu

Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been used to characterize structural and electronic properties of…

Strongly Correlated Electrons · Physics 2020-09-23 T. N. Stanislavchuk , G. L. Pascut , A. P. Litvinchuk , Z. Liu , S. Choi , M. J. Gutmann , B. Gao , K. Haule , V. Kiryukhin , S. -W. Cheong , A. A. Sirenko

Correlation functions and correlation lengths are frequently used to describe phase transitions in quantum systems, but they require an explicit choice of observables. The recently introduced information lattice instead provides an…

Strongly Correlated Electrons · Physics 2026-05-01 William Skoglund , Elton Giacomelli , Yiqi Yang , Jens H. Bardarson , Erik van Loon

Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…

Chemical Physics · Physics 2022-03-25 Marcel David Fabian , Ben Shpiro , Roi Baer

We investigate the relation between dilatation and conformal symmetries in the statistical mechanics of flexible crystalline membranes. We analyze, in particular, a well-known model which describes the fluctuations of a continuum elastic…

Statistical Mechanics · Physics 2021-07-12 Achille Mauri , Mikhail I. Katsnelson

With few systems of technological interest having been studied as extensively as elemental silicon, there currently exists a wide disparity between the number of predicted low-energy silicon polymorphs and those, which have been…

Materials Science · Physics 2017-11-08 Eric Jones , Vladan Stevanovic

Mesoscopic conductance fluctuations in graphene samples at energies not very close to the Dirac point are studied analytically. We demonstrate that the conductance variance $<[\delta G]^2>$ is very sensitive to the elastic scattering…

Mesoscale and Nanoscale Physics · Physics 2009-03-25 Maxim Yu. Kharitonov , Konstantin B. Efetov

The metallicity and gas density dependence of interstellar depletions, the dust-to-gas (D/G), and dust-to-metal (D/M) ratios have important implications for how accurately we can trace the chemical enrichment of the universe; either by…

We continue the series of articles on the application of Landau-Ginzburg mean-field theory to unveil the basic phase structure of tensorial field theories which are characterized by combinatorially non-local interactions. Among others, this…

High Energy Physics - Theory · Physics 2024-08-13 Roukaya Dekhil , Alexander F. Jercher , Daniele Oriti , Andreas G. A. Pithis

By applying a genetic algorithm in a cascade approach of increasing accuracy, we calculate the composition and structure of MgMOx clusters at realistic temperatures and oxygen pressures. The stable and metastable systems are identified by…

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