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The intertwined ferroelectricity and band topology will enable the non-volatile control of the topological states, which is of importance for nanoelectrics with low energy costing and high response speed. Nonetheless, the principle to…

Materials Science · Physics 2021-02-16 Yan Liang , Ning Mao , Ying Dai , Liangzhi Kou , Baibiao Huang , Yandong Ma

We report a series of calculations testing the predictions of the Tran-Blaha functional for the electronic structure and magnetic properties of condensed systems. We find a general improvement in the properties of semiconducting and…

Materials Science · Physics 2010-11-08 David J. Singh

We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Yulei Han , Yafei Ren , Xinlong Dong , Junjie Zeng , Wei Ren , Zhenhua Qiao

We propose that a weakly spontaneous charge-ordered insulating state probably exists in Bernal-stacked bilayer graphene which can account for experimentally observed non-monotonic behavior of resistance as a function of the gated field,…

Mesoscale and Nanoscale Physics · Physics 2024-04-02 Xiu-Cai Jiang , Ze-Yi Song , Ze Ruan , Yu-Zhong Zhang

Van der Waals (vdW) materials have greatly expanded our design space of heterostructures by allowing individual layers to be stacked at non-equilibrium configurations, for example via control of the twist angle. Such heterostructures not…

Mesoscale and Nanoscale Physics · Physics 2022-02-04 Xirui Wang , Kenji Yasuda , Yang Zhang , Song Liu , Kenji Watanabe , Takashi Taniguchi , James Hone , Liang Fu , Pablo Jarillo-Herrero

The stacking faults (deviates from Bernal) will break the translational symmetry of multilayer graphenes and modify their electronic and optical behaviors to the extent depending on the interlayer coupling strength. This paper addresses the…

Materials Science · Physics 2015-05-13 Zhenhua Ni , Lei Liu , Yingying Wang , Zhe Zheng , Lain-Jong Li , Ting Yu , Zexiang Shen

Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer excitons. Recently synthesized atomically thin indium selenide…

Mesoscale and Nanoscale Physics · Physics 2021-12-15 Dangqi Fang , Siyu Chen , Yaqi Li , Bartomeu Monserrat

Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…

Materials Science · Physics 2024-02-16 Stefan Velja , Jannis Krumland , Caterina Cocchi

Van der Waals (vdW) heterostructures are an emergent class of metamaterials comprised of vertically stacked two-dimensional (2D) building blocks, which provide us with a vast tool set to engineer their properties on top of the already rich…

The introduction of 'twist' or relative rotation between two atomically thin van der Waals (vdW) membranes gives rise to periodic Moire potential, leading to a substantial altercation of the band structure of the planar assembly. While most…

Mesoscale and Nanoscale Physics · Physics 2020-12-30 Phanibhusan S Mahapatra , Bhaskar Ghawri , Kenji Watanabe , Takashi Taniguchi , Subroto Mukerjee , Arindam Ghosh

Research on two-dimensional van der Waals materials has demonstrated that the layer degree of freedom can significantly alter the physical properties of materials due to the substantial modification of bulk bands. Inspired by this concept,…

$\alpha$-Sn is an elemental topological material, whose topological phases can be tuned by strain and magnetic field. Such tunability offers a substantial potential for topological electronics. However, InSb substrates, commonly used to…

In this article we review recent work on van der Waals (vdW) systems in which at least one of the components has strong spin-orbit coupling. We focus on a selection of vdW heterostructures to exemplify the type of interesting electronic…

Mesoscale and Nanoscale Physics · Physics 2020-06-04 Enrico Rossi , Christopher Triola

Twisted graphene multilayers provide tunable platforms to engineer flat bands and exploit the associated strongly correlated physics. The two-dimensional nature of these systems makes them suitable for encapsulation by materials that break…

Mesoscale and Nanoscale Physics · Physics 2022-02-03 Guangze Chen , Maryam Khosravian , Jose L. Lado , Aline Ramires

Adatom-decorated graphene offers a promising new path towards spintronics in the ultrathin limit. We combine experiment and theory to investigate the electronic properties of dilutely fluorinated bilayer graphene, where the fluorine adatoms…

Mesoscale and Nanoscale Physics · Physics 2015-10-07 Adam A. Stabile , Aires Ferreira , Jing Li , N. M. R. Peres , J. Zhu

We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…

Mesoscale and Nanoscale Physics · Physics 2018-08-14 Shiang Fang , Stephen Carr , Miguel A. Cazalilla , Efthimios Kaxiras

The electronic properties of bilayer graphene strongly depend on relative orientation of the two atomic lattices. Whereas Bernal-stacked graphene is most commonly studied, a rotational mismatch between layers opens up a whole new field of…

Mesoscale and Nanoscale Physics · Physics 2014-12-15 Hennrik Schmidt , Johannes C. Rode , Dmitri Smirnov , Rolf J. Haug

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

Low-buckled silicene, germanene, and stanene are group$-IV$ graphene allotropes. They form a honeycomb lattice out of two interpenetrating ($A$ and $B$) triangular sublattices that are vertically separated by a small distance $\Delta_z$.…

Materials Science · Physics 2023-06-02 John M. Davis , Gustavo S. Orozco-Galvan , Salvador Barraza-Lopez

Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In this work, we study the electronic structure of twisted…

Materials Science · Physics 2021-05-18 Valerio Vitale , Kemal Atalar , Arash A. Mostofi , Johannes Lischner
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