We report a stoichiometric derivative of graphene with a fluorine atom attached to each carbon. Raman, optical, structural, micromechanical and transport studies show that the material is qualitatively different from the known graphene-based nonstoichiometric derivatives. Fluorographene is a high-quality insulator (resistivity >10^12 Ohm per square) with an optical gap of 3 eV. It inherits the mechanical strength of graphene, exhibiting Young's modulus of 100 N/m and sustaining strains of 15%. Fluorographene is inert and stable up to 400C even in air, similar to Teflon.
Extended dynamical mean-field theory (EDMFT) is insufficient to describe non-local effects in strongly correlated systems, since corrections to the mean-field solution are generally large. We present an efficient scheme for the construction of diagrammatic extensions of EDMFT that avoids usual double counting problem by using an exact change of variables (the dual boson formalism) to distinguish the correlations included in the mean-field solution and those beyond. With a computational efficiency comparable to EDMFT+GW approach, our scheme significantly improves on the charge order transition phase boundary in the extended Hubbard model.
We outline a phenomenological theory of evolution and origin of life by combining the formalism of classical thermodynamics with a statistical description of learning. The maximum entropy principle constrained by the requirement for minimization of the loss function is employed to derive a canonical ensemble of organisms (population), the corresponding partition function (macroscopic counterpart of fitness) and free energy (macroscopic counterpart of additive fitness). We further define the biological counterparts of temperature (biological temperature) as the measure of stochasticity of the evolutionary process and of chemical potential (evolutionary potential) as the amount of evolutionary work required to add a new trainable variable (such as an additional gene) to the evolving system. We then develop a phenomenological approach to the description of evolution, which involves modeling the grand potential as a function of the biological temperature and evolutionary potential. We demonstrate how this phenomenological approach can be used to study the "ideal mutation" model of evolution and its generalizations. Finally, we show that, within this thermodynamics framework, major transitions in evolution, such as the transition from an ensemble of molecules to an ensemble of organisms, that is, the origin of life, can be modeled as a special case of bona fide physical phase transitions that are associated with the emergence of a new type of grand canonical ensemble and the corresponding new level of description
The collective excitation spectrum of two-dimensional (2D) antimonene is calculated beyond the low-energy continuum approximation. The dynamical polarizability is computed using a six-orbital tight-binding model that properly accounts for the band structure of antimonene in a broad energy range. Electron-electron interaction is considered within the random phase approximation. The obtained spectrum is rich, containing the standard intraband 2D plasmon and a set of single interband modes. We find that spin-orbit interaction plays a fundamental role in the reconstruction of the excitation spectrum, with the emergence of novel interband branches in the continuum that interact with the plasmon.
Abstract Recently fabricated InSe monolayers exhibit remarkable characteristics that indicate the potential of this material to host a number of many-body phenomena. In this work, we systematically describe collective electronic effects in hole-doped InSe monolayers using advanced many-body techniques. To this end, we derive a realistic electronic-structure model from first principles that takes into account the most important characteristics of this material, including a flat band with prominent van Hove singularities in the electronic spectrum, strong electron–phonon coupling, and weakly screened long-ranged Coulomb interactions. We calculate the temperature-dependent phase diagram as a function of band filling and observe that this system is in a regime with coexisting charge density wave and ferromagnetic instabilities that are driven by strong electronic Coulomb correlations. This regime can be achieved at realistic doping levels and high enough temperatures, and can be verified experimentally. We find that the electron–phonon interaction does not play a crucial role in these effects, effectively suppressing the local Coulomb interaction without changing the qualitative physical picture.
We present angle-resolved photoemission spectra of the $γ$-phase of manganese as well as a theoretical analysis using a recently developed approach that combines density functional and dynamical mean field methods (LDA+DMFT). The comparison of experimental data and theoretical predictions allows us to identify effects of the Coulomb correlations, namely the presence of broad and undispersive Hubbard bands in this system.
The orbital contribution to the magnetic moment of the transition-metal ion in the isostructural weak ferromagnets $A{\mathrm{CO}}_{3}$ ($A=$ Mn,Co,Ni) and ${\mathrm{FeBO}}_{3}$ was investigated by a combination of first-principles calculations, nonresonant x-ray magnetic scattering, and x-ray magnetic circular dichroism. A nontrivial evolution of the orbital moment as a function of the $3d$ orbitals filling is revealed, with a particularly large value found in the Co member of the family. Here, the coupling between magnetic and lattice degrees of freedom produced by the spin-orbit interaction results in a large single-ion anisotropy and a peculiar magnetic-moment-induced electron cloud distortion, evidenced by the appearance of a subtle scattering amplitude at space-group-forbidden reflections and significant magnetostrictive effects. Our results, which complement a previous investigation on the sign of the Dzyaloshinskii-Moriya interaction across the series, highlight the importance of spin-orbit coupling in the physics of weak ferromagnets and prove the ability of modern first-principles calculations to predict the properties of materials where the Dzyaloshinskii-Moriya interaction is a fundamental ingredient of the magnetic Hamiltonian.
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