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To have a fully ab initio description of the Moir\'e pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking accounts of both atomic registry in and the lattice…

Materials Science · Physics 2020-02-03 W. T. Geng , V. Wang , Y. C. Liu , T. Ohno , J. Nara

Sliding is a ubiquitous phenomenon in moir\'e systems, but its direct influence on moir\'e bands, especially in multi-twist moir\'e systems, has been largely overlooked to date. Here, we theoretically show that sliding provides a unique…

Mesoscale and Nanoscale Physics · Physics 2025-09-12 Shi-Ping Ding , Miao Liang , Tian-Le Wu , Meng-Hao Wu , Jing-Tao Lü , Jin-Hua Gao , X. C. Xie

Motivated by recent observation of the quantum spin Hall effect in monolayer germanene and twisted bilayer transition-metal-dichalcogenides (TMDs), we study the topological phases of moir\'e twisted bilayers with time-reversal symmetry and…

Mesoscale and Nanoscale Physics · Physics 2024-05-24 Yi-Ming Wu , Daniel Shaffer , Zhengzhi Wu , Luiz H. Santos

Moir\'e superlattices in semiconductors exhibit a rich variety of interaction-induced topological states, including quantum anomalous Hall (QAH) effects. A recent study hinted that twisted WSe2 homobilayer (tWSe2) could host a QAH state but…

Motivated by recent experimental observations of opposite Chern numbers in $R$-type twisted MoTe$_2$ and WSe$_2$ homobilayers, we perform large-scale density-functional-theory (DFT) calculations with machine learning force fields to…

Materials Science · Physics 2024-05-21 Xiao-Wei Zhang , Chong Wang , Xiaoyu Liu , Yueyao Fan , Ting Cao , Di Xiao

It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…

Mesoscale and Nanoscale Physics · Physics 2023-07-13 Somepalli Venkateswarlu , Ahmed Misssaoui , Andreas Honecker , Guy Trambly de Laissardière

The low symmetry and anistropic lattice of 1T$'$ WTe$_2$ is responsible for the existence of parallel one-dimensional channels in the moir\'e patterns of twisted bilayers. This gives the opportunity to explore moir\'e physics of a different…

Materials Science · Physics 2024-07-11 Samuel J. Magorrian , Nicholas D. M. Hine

Twisted bilayer MoTe$_2$ is a promising platform to investigate the interplay between band topology and many-body interaction. We present a theoretical study of its interaction-driven quantum phase diagrams based on a three-orbital model,…

Mesoscale and Nanoscale Physics · Physics 2023-11-16 Wen-Xuan Qiu , Bohao Li , Xun-Jiang Luo , Fengcheng Wu

We investigate the moir\'e band structures and the strong correlation effects in twisted bilayer MoTe$_2$ for a wide range of twist angles, employing a combination of various techniques. Using large-scale first principles calculations, we…

Strongly Correlated Electrons · Physics 2024-03-04 Cheng Xu , Jiangxu Li , Yong Xu , Zhen Bi , Yang Zhang

Moire superlattices in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moire flat minibands in those systems effectively enhance the electron-electron interaction.…

Materials Science · Physics 2021-10-18 Qiaoling Xu , Yuzheng Guo , Lede Xian

A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…

Quantum Gases · Physics 2025-04-11 Dean Johnstone , Shanya Mishra , Zhaoxuan Zhu , Laurent Sanchez-Palencia

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

Moir\'e superlattices based on two-dimensional transition metal dichalcogenides (TMDs) have emerged as a highly versatile and fruitful platform for exploring correlated topological electronic phases. One of the most remarkable examples is…

Mesoscale and Nanoscale Physics · Physics 2024-10-02 Ming Xie , Mohammad Hafezi , Sankar Das Sarma

Moir\'e materials, with superlattice periodicity many times the atomic length scale, have enabled the studies of strong electronic correlations and band topology with unprecedented tunability. However, nonvolatile control of the moir\'e…

Mesoscale and Nanoscale Physics · Physics 2022-09-15 Kaifei Kang , Wenjin Zhao , Yihang Zeng , Kenji Watanabe , Takashi Taniguchi , Jie Shan , Kin Fai Mak

Twisting bilayers of transition metal dichalcogenides (TMDs) gives rise to a periodic moir\'{e} potential resulting in flat electronic bands with localized wavefunctions and enhanced correlation effects. In this work, scanning tunneling…

Mesoscale and Nanoscale Physics · Physics 2024-07-02 Laurent Molino , Leena Aggarwal , Indrajit Maity , Ryan Plumadore , Johannes Lischner , Adina Luican-Mayer

Moir\'e superlattices - periodic orbital overlaps and lattice-reconstruction between sites of high atomic registry in vertically-stacked 2D layered materials - are quantum-active interfaces where non-trivial quantum phases on novel…

Mesoscale and Nanoscale Physics · Physics 2021-01-13 Zachariah Hennighausen , Swastik Kar

We study twisted bilayer WSe$_2$ within a continuum moir\'e model and introduce a method for treating finite geometries directly in the continuum framework, overcoming limitations associated with momentum-space formulations and Wannier…

Mesoscale and Nanoscale Physics · Physics 2026-04-30 Yasser Saleem , Paweł Potasz , Anna Dyrdał , Björn Trauzettel , Ewelina M. Hankiewicz

Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and tunable moir\'e system for studying and designing correlated electron physics. In this work, by combining large-scale first principle calculation and…

Strongly Correlated Electrons · Physics 2020-12-30 Yang Zhang , Noah F. Q. Yuan , Liang Fu

The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…

Mesoscale and Nanoscale Physics · Physics 2020-08-05 Stephen Carr , Daniel Massatt , Mitchell Luskin , Efthimios Kaxiras

Twist-engineering of the electronic structure of van-der-Waals layered materials relies predominantly on band hybridization between layers. Band-edge states in transition-metal-dichalcogenide semiconductors are localized around the metal…

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