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The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic…

Computational Physics · Physics 2022-12-29 Feng Xue , Yusheng Hou , Zhe Wang , Zhiming Xu , Ke He , Ruqian Wu , Yong Xu , Wenhui Duan

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

Interfacial interactions in two parallel-stacked hexagonal boron-nitride (hBN) layers facilitate sliding ferroelectricity, enabling novel device functionalities. Additionally, when Bernal or twisted bilayer graphene is aligned with an hBN…

Mesoscale and Nanoscale Physics · Physics 2026-04-23 Tianyu Zhang , Yueyang Wang , Hongxia Xue , Kenji Watanabe , Takashi Taniguchi , Dong-Keun Ki

Magic-Angle Twisted Bilayer Graphene shows a wide range of correlated phases which are electrostatically tunable. Despite a growing knowledge of the material, there is yet no consensus on the microscopic mechanisms driving its…

The high mechanical strength and excellent flexibility of 2D materials such as graphene are some of their most important properties [1]. Good flexibility is key for exploiting 2D materials in many emerging technologies, such as wearable…

Mesoscale and Nanoscale Physics · Physics 2018-09-05 A. P. Rooney , Z. Li , W. Zhao , A. Gholinia , A. Kosikov , G. Auton , F. Ding , R. V. Gorbachev , R. J. Young , S. J Haigh

Two dimensional van der Waals heterostructures (2D are of significant interest due to their intriguing physical properties that are critically defined by the constituent monolayers and their interlayer coupling . However, typical inorganic…

When twisted to angles near 1{\deg}, graphene multilayers provide a new window on electron correlation physics by hosting gate-tuneable strongly-correlated states, including insulators, superconductors, and unusual magnets. Here we report…

Recent experimental and theoretical investigations demonstrate that twisted trilayer graphene (tTLG) is a highly tunable platform to study the correlated insulating states, ferromagnetism, and superconducting properties. Here we explore the…

Mesoscale and Nanoscale Physics · Physics 2021-11-17 Zewen Wu , Xueheng Kuang , Zhen Zhan , Shengjun Yuan

The designer approach has become a new paradigm in accessing novel quantum phases of matter. Moreover, the realization of exotic states such as topological insulators, superconductors and quantum spin liquids often poses challenging or even…

The recently observed unconventional ferroelectricity in AB bilayer graphene sandwiched by hexagonal Boron Nitride (hBN) presents a new platform to manipulate correlated phases in multilayered van der Waals heterostructures. We present a…

Mesoscale and Nanoscale Physics · Physics 2022-11-30 Ziyan Zhu , Stephen Carr , Qiong Ma , Efthimios Kaxiras

The possibility of triggering correlated phenomena by placing a singularity of the density of states near the Fermi energy remains an intriguing avenue towards engineering the properties of quantum materials. Twisted bilayer graphene is a…

Here we investigate how charge density waves (CDW), inherent to a monolayer, are effected by creating twisted van der Waals structures. Homobilayers of metallic transition metal dichalcogenides (TMDs), at small twist angles where there is…

Materials Science · Physics 2023-05-29 Zachary A. H. Goodwin , Vladimir I. Fal'ko

Three dimensional (3D) topological insulators (TIs) are an important class of materials with applications in electronics, spintronics and quantum computing. With the recent development of truly bulk insulating 3D TIs, it has become possible…

In this paper, we propose an extended plane wave framework to make the electronic structure calculations of the twisted bilayer 2D material systems practically feasible. Based on the foundation in [Y. Zhou, H. Chen, A. Zhou, J. Comput.…

Computational Physics · Physics 2023-01-05 Xiaoying Dai , Aihui Zhou , Yuzhi Zhou

Rotational misalignment or twisting of two mono-layers of graphene strongly influences its electronic properties. Structurally, twisting leads to large periodic supercell structures, which in turn can support intriguing strongly correlated…

Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…

Electrostatic gating provides a way to obtain key functionalities in modern electronic devices and to qualitatively alter materials properties. While electrostatic description of such gating gives guidance for related doping effects,…

Materials Science · Physics 2016-06-08 Predrag Lazic , Kirill D. Belashchenko , Igor Zutic

In van der Waals (vdW) heterostructures formed by stacking two monolayers of transition metal dichalcogenides, multiple exciton resonances with highly tunable properties are formed and subject to both vertical and lateral confinement. We…

Beyond the study of individual materials, their interfaces and arising functionality are crucial enablers of fundamental science and technological applications. Recently, the arena of two-dimensional (2D) materials was extended to so-called…

Materials Science · Physics 2025-03-18 Anastasiia Nihei , Tom Barnowsky , Rico Friedrich

Intralayer deformation in van der Waals (vdW) heterostructures is generally assumed to be negligible due to the weak nature of the interactions between the layers, especially when the interfaces are found incoherent. In the present work,…

Materials Science · Physics 2018-07-18 Benoit Van Troeye , Aurélien Lherbier , Jean-Christophe Charlier , Xavier Gonze
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