Image de couverture de livre

Quantum Modelling of Magnetism in Strongly Correlated Materials: Evaluating Constrained DFT and the Hubbard Model for Y114

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Tantardini, Christian, Fazylbekova, Darina, Levchenko, Sergey, Novikov, Ivan S.
Format:	Preprint
Publié:	2024
Sujets:	Strongly Correlated Electrons Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
par: Gonze, Xavier, et autres
Publié: (2025)

Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks
par: Vrancken, Daan, et autres
Publié: (2025)

Quantum control of Hubbard excitons
par: Baykusheva, D. R., et autres
Publié: (2026)

Bandwidth Control and Symmetry Breaking in a Mott-Hubbard Correlated Metal
par: Shoham, Lishai, et autres
Publié: (2023)

Strong Correlations at Oxide Interfaces: What is Hidden in a Plane View?
par: Chakhalian, Jak
Publié: (2024)

Accurate DFT Simulation of Complex Functional Materials: Synergistic Enhancements Achieved by SCAN meta-GGA
par: Ke, Da, et autres
Publié: (2024)

Prediction of Magnetic Topological Materials Combining Spin and Magnetic Space Groups
par: Huang, Liangliang, et autres
Publié: (2026)

Implementation of the bilayer Hubbard model in a moiré heterostructure
par: Polovnikov, Borislav, et autres
Publié: (2024)

Symmetry-Driven Trimer Formation in Kagome Correlated Electron Materials
par: Kumari, Varsha, et autres
Publié: (2025)

Explicit demonstration of the equivalence between DFT+U and the Hartree-Fock limit of DFT+DMFT
par: Carta, Alberto, et autres
Publié: (2024)

ComDMFT v.2.0: Fully Self-Consistent ab initio GW+EDMFT for the Electronic Structure of Correlated Quantum Materials
par: Kang, Byungkyun, et autres
Publié: (2023)

BMach: a Bayesian machine for optimizing Hubbard U parameters in DFT+U with machine learning
par: Das, Ritwik
Publié: (2024)

Disentangle Intertwined Interactions in Correlated Charge Density Wave with Magnetic Impurities
par: Park, J. W., et autres
Publié: (2025)

Strongly Quenched Kramers Doublet Magnetism in SmMgAl11O19
par: Kumar, Sonu, et autres
Publié: (2026)

Noncentrosymmetric Triangular Magnet CaMnTeO$_6$: Strong Quantum Fluctuations and Role of s0 vs. s2 Electronic States in Competing Exchange Interactions
par: Huai, Xudong, et autres
Publié: (2024)

Correlated Oxide Dirac Semimetal in the Extreme Quantum Limit
par: Ok, Jong Mok, et autres
Publié: (2021)

Self-consistent dynamical Hubbard functional for correlated solids
par: Chiarotti, Tommaso, et autres
Publié: (2025)

Influence of ligand field and correlation on the electronic structure of NiO and CoO from DFT+DMFT calculations
par: Mutter, Daniel, et autres
Publié: (2026)

Orbital-resolved DFT+U for molecules and solids
par: Macke, Eric, et autres
Publié: (2023)

Combining Electron-Phonon and Dynamical Mean-Field Theory Calculations of Correlated Materials: Transport in the Correlated Metal Sr$_2$RuO$_4$
par: Abramovitch, David J., et autres
Publié: (2023)

Pitfalls of Exchange-Correlation Functionals in Descriptions of Magnetism: Cautionary Tale of the FeRh Alloy
par: Pandey, Shishir Kumar, et autres
Publié: (2024)

Haerter-Shastry kinetic magnetism and metallicity in the triangular Hubbard model
par: Sherif, Sogoud, et autres
Publié: (2025)

Emergent Spin Supersolids in Frustrated Quantum Materials
par: Huang, Yixuan, et autres
Publié: (2026)

Strongly Entangled Kondo and Kagome Lattices and the Emergent Magnetic Ground State in Heavy-Fermion Kagome Metal YbV$_6$Sn$_6$
par: Lou, Rui, et autres
Publié: (2025)

Comparative analysis of methods for calculating Hubbard parameters using cRPA
par: Reddy, Indukuru Ramesh, et autres
Publié: (2025)

Dynamical Hubbard approach to correlated materials: the case of transition-metal monoxides
par: Caserta, Mario, et autres
Publié: (2025)

Spin Models and Cluster Multipole Method: Application to Kagome Magnets
par: Bouaziz, Juba, et autres
Publié: (2025)

Oxygen vacancies in vanadium dioxide: A DFT$+V$ study
par: Leibnitz, Oskar, et autres
Publié: (2025)

Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS$_2$
par: Notter, Niklas, et autres
Publié: (2025)

First-Principles Calculation of Hubbard U for Terbium Metal under High Pressure
par: Burnett, Logan A., et autres
Publié: (2024)

Electronic and magnetic ground states of {112} grain boundary in graphene in the extended Hubbard model
par: Jana, Sishir, et autres
Publié: (2025)

Metal-free Stoner and Mott-Hubbard magnetism in 2D polymers with honeycomb lattice
par: Yu, Hongde, et autres
Publié: (2023)

Kagome Metal GdNb$_6$Sn$_6$: A 4d Playground for Topological Magnetism and Electron Correlations
par: Xiao, Yusen, et autres
Publié: (2025)

Much ado about MOFs: Metal-Organic-Frameworks as Quantum Materials
par: Drichko, Natalia, et autres
Publié: (2025)

Insulator to Metal Transition, Spin-Phonon Coupling, and Potential Magnetic Transition Observed in Quantum Spin Liquid Candidate LiYbSe$_2$ under High Pressure
par: Wang, Haozhe, et autres
Publié: (2023)

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe$_2$
par: Xie, Tao, et autres
Publié: (2023)

Incorporating static intersite correlation effects in vanadium dioxide through DFT$+V$
par: Haas, Lea, et autres
Publié: (2024)

Single-site DFT+DMFT for vanadium dioxide using bond-centered orbitals
par: Mlkvik, Peter, et autres
Publié: (2024)

Multiscale Magnetic Correlations in La2Mn2-xNixO6: Role of Crystal Structure in Double Perovskites
par: Bera, A. K., et autres
Publié: (2025)

Hubbard dimer physics and the magnetostructural transition in the correlated cluster material Nb$_3$Cl$_8$
par: Carta, Alberto, et autres
Publié: (2025)