Selected classes of strongly correlated materials, and how interactions between their low-energy degrees of freedom (''building blocks'') and symmetry may lead to different functionalities.
Quantum 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 …
cDFT 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.
This 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 …
The 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-
arXivLabs: experimental projects with community collaborators. arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website.
The 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-
Designing and controlling the properties of transition metal ...
From 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 …
Strongly 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 between distinct, …
Strong correlations interplay with spin–orbit coupling and space-group symmetry to drive topological states of matter, as exemplified by Weyl–Kondo …
MXenes 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 …
Maintaining 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 …
Alkali and alkaline earth metal batteries, especially lithium-ion batteries, have had increased interest in the last decade. They offer higher energy density storage and quick discharge rates compared to other battery technologies. They power most of our portable electronics including phones and laptops. They have also been recently used more in …
to 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 …
Other 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 ...
correlated materials, theoretical design and spectroscopy of strongly correlated electron materials have been a difficult challenge for many years. By treating all the relevant energy scales with sufficient accuracy, complementary advances in Green''s functions and quantum Monte Carlo methods open a path to first-principles computational …
Materials with strong electron-electron correlations form an important class of condensed matter systems with unusual physical properties and numerous technological applications (see, for example, []), …
Here, we investigate photocurrent in VO(2), an exemplary strongly correlated material known for its dramatic metal-insulator transition at T(c) ≈ 68 °C, which could be useful for optoelectronic detection and switching up to ultraviolet wavelengths. Using scanning photocurrent microscopy on individual suspended VO(2) nanobeams we observe a ...
Among them, copper-BHT complex with a formula of [Cu 3 (C 6 S 6)] n (Cu-BHT) exhibits extremely high conductivity at room temperature (∼2500 S·cm −1) ().This material consists of stacked π − d conjugated 2D nanosheets with Cu 2+ ions and BHT ligands, forming a perfect kagome lattice of Cu 2+ with S = 1/2 spins (see Fig. 1, A to C) Cu-BHT, in …
In 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 …
We classify the many emerging quantum phenomena in terms of three physical parameters: the strength of the light–matter coupling, the strength of electronic …
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.
MXenes 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 has not been fully understood. In the present study, the structural properties of five typical M3C2O2 (M = V, Ti, Nb, Hf, and Zr) and the adsorption …
1 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 …
Correlated 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, …
The rechargeable battery is an energy storage technology that relies critically on a transition metal oxide cathode material with the ability to reversibly intercalate Li ions. Due to the …
Layered oxides are the subject of intense studies either for their properties as electrode materials for high-energy batteries or for their original physical properties due to the strong electronic correlations resulting from their unique structure. ... This work opens up a new research domain in the field of strongly electron-correlated ...
The 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 …
Transition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding...
The 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 ...
Electronic 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)
The 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 …
Georges, A. Strongly correlated electron materials: dynamical mean-field theory and electronic structure. AIP Conf. Proc. 715, 3–74 (2004). Article CAS Google Scholar ...