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Two-dimensional (2D) materials viz. transition metal dichalcogenides (TMD) and transition metal oxides (TMO) offer a platform that allows creation of heterostructures with a variety of properties. The optoelectronic industry has observed an…

Materials Science · Physics 2021-06-07 Arunima Singh , Manjari Jain , Saswata Bhattacharya

The incommensurate stacking of multi-layered two-dimensional materials is a challenging problem from a theoretical perspective and an intriguing avenue for manipulating their physical properties. Here we present a multi-scale model to…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Ziyan Zhu , Paul Cazeaux , Mitchell Luskin , Efthimios Kaxiras

Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via stacking, twisting, or straining. Using ab initio Many-Body…

Mesoscale and Nanoscale Physics · Physics 2025-03-21 R. Reho , A. R. Botello-Méndez , D. Sangalli , M. J. Verstraete , Zeila Zanolli

Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative new science that may be harnessed for novel device technologies. These materials are commonly…

The growth and exfoliation of two-dimensional (2D) materials have led to the creation of edges and novel interfacial states at the juncture between crystals with different composition or phases. These hybrid heterostructures (HSs) can be…

Mesoscale and Nanoscale Physics · Physics 2019-04-02 Oscar Ávalos-Ovando , Diego Mastrogiuseppe , Sergio E. Ulloa

Stacked van der Waals (vdW) heterostructures where semi-conducting two-dimensional (2D) materials are contacted by overlayed graphene electrodes enable atomically-thin, flexible electronics. We use first-principles quantum transport…

Materials Science · Physics 2017-05-24 Daniele Stradi , Nick R. Papior , Mads Brandbyge

Van der Waals (vdW) homo-/hetero-structures are ideal systems for studying interfacial tribological properties such as structural superlubricity. Previous studies concentrated on the mechanism of translational motion in vdW interfaces.…

The diversity of 2D materials and their van der Waals (vdW) stacking presents a fertile ground for engineering novel multifunctional materials and quantum states of matter. This permits unique opportunities to tailor the electronic…

The emergence of superconductivity in slightly-misaligned graphene bilayer [1] and moir\'e excitons in MoSe$_2$-WSe$_2$ van der Waals (vdW) heterostructures [2] is intimately related to the formation of a 2D superlattice in those systems.…

We explore the flatness of conduction and valence bands of interlayer excitons in MoS$_2$/WSe$_2$ van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model…

Mesoscale and Nanoscale Physics · Physics 2023-11-20 Sara Conti , Andrey Chaves , Tribhuwan Pandey , Lucian Covaci , François M. Peeters , David Neilson , Milorad V. Milošević

We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the interlayer overlapping degree, a geometric quantity describing…

Materials Science · Physics 2020-10-07 W. T. Geng , V. Wang , J. B. Lin , T. Ohno , J. Nara

Pristine van der Waals (vdW) interfaces between two-dimensional (2D) and other materials are core to emerging optical and electronic devices. Their direct fabrication is, however, challenged as the vdW forces are weak and cannot be tuned to…

Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…

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

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

Enhanced van der Waals (vdW) epitaxy of semiconductors on layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layered material, first-principles calculations reveal that the bond…

Computational Physics · Physics 2017-11-22 Weiyu Xie , Toh-Ming Lu , Gwo-Ching Wang , Ishwara Bhat , Shengbai Zhang

Signatures of unconventional superconductivity have been reported in a wide range of van der Waals (vdW) materials. However, their microscopic origin remains unclear due to competing electronic orders, strong spin-orbit coupling, and…

Superconductivity · Physics 2026-01-08 Ankan Biswas , Jagannath Sutradhar , Sudip Kumar Saha , Avraham Klein , Jonathan Ruhman

To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…

Van der Waals materials may be combined to form moir\'e patterns that are effectively crystal lattices. These systems are unique in that their in-plane unit cell sizes may be orders of magnitude larger than interlayer separations, leading…

Mesoscale and Nanoscale Physics · Physics 2026-03-17 Ritajit Kundu , Mandar M. Deshmukh , Herbert A. Fertig , Arijit Kundu

Van der Waals (vdW) polytypes of broken inversion and mirror symmetries were recently shown to exhibit switchable electric polarization even at the ultimate two-layer thin limit. Their out-of-plane polarization was found to accumulate in a…

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