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A major theoretical challenge of studying twisted transition metal dichalcogenide (TMD) bilayers is that the unit cell of such structures is very large and therefore difficult to address using first-principles methods. However, twisted TMD…

Materials Science · Physics 2019-09-13 Madeleine Phillips , C. Stephen Hellberg

We theoretically study a generalized Hubbard model on moir\'e superlattices of twisted bilayers, and find very rich filling-factor-dependent quantum phase diagrams tuned by interaction strength and twist angle. Strong long-range Coulomb…

Strongly Correlated Electrons · Physics 2020-11-11 Haining Pan , Fengcheng Wu , Sankar Das Sarma

We explore the phase diagram of a twisted bilayer of strongly interacting electrons on a honeycomb lattice close to half-filling using the slave boson mean-field theory. Our analysis indicates that a variety of new phases can be realized as…

Strongly Correlated Electrons · Physics 2024-08-23 Ilia Komissarov , Onur Erten , Pouyan Ghaemi

Bilayer transition metal dichalcogenides (TMDs) belong to a class of materials with two unique features, the coupled spin-valley-layer degrees of freedom and the crystal structure that is globally centrosymmetric but locally…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Chao-Xing Liu

Recent results on the optical properties of mono- and few-layers of semiconducting transition metal dichalcogenides are reviewed. Experimental observations are presented and discussed in the frame of existing models, highlighting the limits…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 M. Koperski , M. R. Molas , A. Arora , K. Nogajewski , A. O. Slobodeniuk , C. Faugeras , M. Potemski

We study low temperature properties of the Hubbard model for the bismuth nickelate, where degenerate orbitals in the nickel ions and a single orbital in the bismuth ions are taken into account, combining dynamical mean-field theory with the…

Strongly Correlated Electrons · Physics 2016-08-01 Shoya Kojima , Joji Nasu , Akihisa Koga

Moir\'e superlattices of transitional metal dichalcogenides exhibit strong electron-electron interaction that has led to experimental observations of Mott insulators and generalized Wigner crystals. In this letter, we report direct…

A simple yet paradigmatic model for the interplay of strong electronic correlations and geometric frustration is the triangular lattice Hubbard model. Recently it was proposed that moir\'e structures of transition metal dichalcogenides can…

Strongly Correlated Electrons · Physics 2022-10-05 Nico Gneist , Laura Classen , Michael M. Scherer

Using a self-consistent Hartree-Fock theory, we show that the recently observed ferromagnetism in twisted bilayer WSe$_2$ [Nat. Commun. 16, 1959 (2025)] can be understood as a Stoner-like instability of interaction-renormalized moir\'e…

Strongly Correlated Electrons · Physics 2025-12-18 Liangtao Peng , Christophe De Beule , Yiyang Lai , Du Li , Li Yang , E. J. Mele , Shaffique Adam

Geometrical moir\'e patterns, generic for almost aligned bilayers of two-dimensional (2D) crystals with similar lattice structure but slightly different lattice constants, lead to zone folding and miniband formation for electronic states.…

Mesoscale and Nanoscale Physics · Physics 2019-04-01 David A. Ruiz-Tijerina , Vladimir I. Fal'ko

Moir\'e materials have become one of the most active fields in material science in recent years due to their high tunability, and their unique properties emerge from the Moir\'e-scale structure modulation. Here, we propose twisted bilayer…

Mesoscale and Nanoscale Physics · Physics 2022-03-17 Ikuma Tateishi , Motoaki Hirayama

Twisted bilayer graphene is a rich condensed matter system, which allows one to tune energy scales and electronic correlations. The low-energy physics of the resulting moir\'e structure can be mathematically described in terms of a…

Mesoscale and Nanoscale Physics · Physics 2024-06-21 Alireza Parhizkar , Victor Galitski

Moir\'e superlattices formed by transition metal dichalcogenide (TMD) heterobilayers provide a versatile platform for studying strongly correlated electronic, excitonic, and topological phenomena in solids. In particular, angle-aligned…

Topological flat bands at the Fermi level offer a promising platform to study a variety of intriguing correlated phase of matter. Here we present band engineering in the twisted orbital-active bilayers with spin-orbit coupling. The symmetry…

Mesoscale and Nanoscale Physics · Physics 2022-09-15 Huan Wang , Yadong Jiang , Zhaochen Liu , Jing Wang

The model of a strongly correlated system in which periodically spaced Anderson-Hubbard centers are introduced into narrow-band metal is considered. Besides the interactions between localized magnetic moments and strong on-site Coulomb…

Strongly Correlated Electrons · Physics 2023-07-19 Yuriy Skorenkyy , Leonid Didukh , Oleksandr Kramar , Yuriy Dovhopyaty

Thin film magnetic heterostructures with competing interfacial coupling and Zeeman energy pro- vide a fertile ground to study phase transition between different equilibrium states as a function of external magnetic field and temperature. A…

Interest in the application of thermoelectric devices for renewable energy has risen over the past decade. In this paper, we calculate the transport properties of various configurations of the transition metal dichalcogenide (TMD) MSe$_2$…

Materials Science · Physics 2020-02-26 Jonathan Tseng , Xuan Luo

Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…

Transition-metal dichalcogenide heterostructures exhibit moir\'e patterns that spatially modulate the electronic structure across the material's plane. For certain material pairs, this modulation acts as a potential landscape with deep,…

Mesoscale and Nanoscale Physics · Physics 2021-03-12 David A. Ruiz-Tijerina , Isaac Soltero , Francisco Mireles

Twisted bilayer MoTe$_2$ (tMoTe$_2$) has emerged as a robust platform for exploring correlated topological phases, notably supporting fractional Chern insulator (FCI) states at zero magnetic field across a wide range of twist angles. The…