Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects.
Learn MoreOther ordering or magnetic phenomena and temperature induced phase transitions in many transition metal oxides are also gathered under the term strongly correlated materials. Typically, strongly correlated materials have incompletely filled d or f electron shells with narrow bands. One can no longer consider any electron in the material as ...
Learn MoreThere is, however, one class of thermoelectric materials that noticeably deviates from the conventional paradigm, i.e., the strongly correlated thermoelectrics. Thermoelectric materials such as Ca 3 Co 4 O 9+δ [ 66 ], Fe 1+y Te 0.6 Se 0.4 [ 67 ], and Na x CoO 2 [ 68 ] are excellent electrical conductors—Na x CoO 2 has a high carrier ...
Learn MorecDFT for describing strongly correlated materials [11]. In Kohn-Sham (KS) DFT the electronic structure of a material is obtained by solving a system of single-particle equations known as KS equations. The Hamiltonian in these equations includes the sum of kinetic energy and the external potential of a single electron.
Learn MoreThe first consists in improving the approximation of the exchange–correlation functional—even if at the price of introducing ad hoc corrections or free parameters, and thus operating outside the strict principles of density-functional theory. ... There are different families of strongly-correlated materials. The first group includes …
Learn MoreThis study introduces a systematic approach for analyzing strongly correlated systems by adapting the conventional quantum cluster method to a quantum circuit model. We have developed a more concise formula for calculating the cluster''s Green''s function, requiring only real-number computations on the quantum circuit instead …
Learn MoreStrongly Correlated Materials: Insights From Dynamical Mean ...
Learn MoreStrongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials …
Learn MoreThis series of lectures introduces students who have a knowledge of basic band theory in materials to the properties of strongly correlated materials, in whi...
Learn MoreMaterials with strong electron-electron correlations form an important class of condensed matter systems with unusual physical properties and numerous technological applications (see, for example, []), which are expected to significantly increase with advances in nanotechnologies [2,3,4,5,6].The non-equilibrium properties of these …
Learn MoreTransition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding...
Learn MoreQuantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly …
Learn MorearXivLabs: experimental projects with community collaborators. arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website.
Learn MoreStrongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials …
Learn MoreView a PDF of the paper titled Quantifying fault tolerant simulation of strongly correlated systems using the Fermi-Hubbard model, by Anjali A. Agrawal and 10 other authors
Learn MoreIn complex transition-metal oxides, the interactions between the electronic spins, charges, and orbitals produce a rich variety of electronic phases. The competition and/or cooperation among these correlated-electron phases can lead to the emergence of surprising electronic phenomena and functionalities and form the basis for a new type of …
Learn MoreThe response of strongly correlated materials to optical irradiation has been studied for decades, although the appearance of terahertz and mid-infrared sources of sufficient power has drastically ...
Learn MoreThe continuous evolution and development of experimental techniques is at the basis of any fundamental achievement in modern physics. Strongly correlated systems (SCS), more than any other, need to be investigated through the greatest variety of experimental techniques in order to unveil and crosscheck the numerous and puzzling anomalous …
Learn MoreThe LDA+U approach can remarkably improve the treatment of strongly correlated systems with respect to LDA without introducing much computational overhead, and has therefore become very popular in first-principles modeling of d- and f-electron systems. 49, 51, 61-65 Considering its wide applications, it is important to bear in mind …
Learn MoreMXenes have been extensively explored as anode materials in Li, Na, and K ion batteries. However, the correlation between structural properties of MXenes and their electrochemical performances …
Learn MoreTopological semimetal driven by strong correlations and ...
Learn MoreThe basic feature of correlated materials is their elec-trons cannot be described as non-interacting particles. Since the constituent electrons are strongly coupled to one another, studying the behavior of individual parti-cles generally provides little insight into the macroscopic properties of a correlated material. Often, correlated ma-
Learn MoreThe basic feature of correlated materials is their elec-trons cannot be described as non-interacting particles. Since the constituent electrons are strongly coupled to one another, studying the behavior of individual parti-cles generally provides little insight into the macroscopic properties of a correlated material. Often, correlated ma-
Learn Moreto treat strongly correlated systems accurately is currently one of the most active fields in theoretical chemistry and con-densed matter physics. In this short review, we will focus …
Learn MoreStrongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials such as silicon and aluminum, whose properties are comparatively unaffected by the Coulomb repulsion. Correlated materials often have remarkable properties and …
Learn MoreMaintaining a practical perspective, Electronic Transport Theories: From Weakly to Strongly Correlated Materials provides an integrative overview and comprehensive coverage of electronic transport with pedagogy in view covers traditional theories, such as the Boltzmann transport equation and the Kubo formula, along with …
Learn Morecurately describe strongly-correlated electronic states, i.e. states that cannot be represented by a single determinant of one-electron orbitals.1,2 Prominent examples of strongly-correlated systems include transition metal oxides with localized d or f bands,3 deep centers in semi-
Learn MoreStrongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials such as silicon and aluminum, whose properties are comparatively unaffected by the Coulomb repulsion. Correlated materials often have remarkable properties and transitions
Learn MoreDesigning and controlling the properties of transition metal ...
Learn MoreFrom the reviews: "This book covers a tremendous amount of material regarding the analysis of strongly correlated systems. It is concerned primarily with theoretical methods for describing transport properties in novel materials …
Learn MoreWe classify the many emerging quantum phenomena in terms of three physical parameters: the strength of the light–matter coupling, the strength of electronic …
Learn MoreElectronic structure of strongly correlated materials V. I. Anisimov. V. I. Anisimov Institute of Metal Physics, Russian Academy of Sciences, 620041, Yekaterinburg GSP‐170, Russia. Search for other works by this author on: This Site. PubMed. Google Scholar. AIP Conf. Proc. 1297, 3–134 (2010)
Learn MoreThe crossover from fluctuating atomic constituents to a collective state as one lowers temperature or energy is at the heart of the dynamical mean-field theory description of the solid state. We demonstrate that the numerical renormalization group is a viable tool to monitor this crossover in a real-materials setting. The renormalization group …
Learn More1 Introduction. Two-dimensional (2D) nanostructures feature a atomically thin geometry in thickness and a ultrahigh surface-to-volume ratio compared to other dimensional nanomaterials (Figure 1a).[1, 2] Generally, a monolayer in a 2D-layered materials is composed of an atom-level-thickness, covalently bonded lattice, and these dangling bond …
Learn MoreCorrelated Materials Design: Prospects and Challenges Ran Adler 1, Chang-Jong Kang, Chuck-Hou Yee, and Gabriel Kotliar1;2 1Dept. of Physics & Astronomy, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA 2Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, …
Learn MoreTheir analyses examine the decline in cost or price at the cell, pack, and system levels and explore the decline''s relationship to determinants including production, inventive activity, time, and material …
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