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Property by design is one appealing idea in material synthesis but hard to achieve in practice. A recent successful example is the demonstration of van der Waals (vdW) heterostructures,1-3 in which atomic layers are stacked on each other…

The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and…

Materials Science · Physics 2009-11-13 Jesper Kleis , Elsebeth Schroder , Per Hyldgaard

Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…

Van de Waals heterostructures (VDWH) is an emerging strategy to engineer the electronic properties of two-dimensional (2D) material systems. Motivated by the recent discovery of MoSi$_2$N$_4$ - a synthetic septuple-layered 2D semiconductor…

Materials Science · Physics 2022-03-23 Jin Quan Ng , Qingyun Wu , L. K. Ang , Yee Sin Ang

Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons over large spatial scales. Here, we identify and study in…

First-principle calculations were employed to analyze the effects induced by vacancies of molybdenum (Mo) and sulfur (S) on the dielectric properties of few-layered MoS2. We explored the combined effects of vacancies and dipole interactions…

Materials Science · Physics 2024-03-19 Amit Singh , Seunghan Lee , Hyeonhu Bae , Jahyun Koo , Li Yang , Hoonkyung Lee

We study the role of electronegativity in sliding friction for five different two dimensional (2D) monolayer systems using density functional theory (DFT) with van der Waals (vdW) corrections. We show that the friction between the…

Materials Science · Physics 2020-06-16 Jianjun Wang , Avinash Tiwari , Yang Huang , Yu Jia , B. N. J. Persson

2D intercorrelated ferroelectrics, exhibiting a coupled in-plane and out-of-plane ferroelectricity, is a fundamental phenomenon in the field of condensed-mater physics. The current research is based on the paradigm of bi-directional…

Materials Science · Physics 2020-11-24 Yan Liang , Shiying Shen , Baibiao Haung , Ying Dai , Yandong Ma

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…

Van der Waals heterostructures have become a rapidly growing field in condensed matter research, offering a platform to engineer novel quantum systems by stacking different two-dimensional (2D) materials. A diverse range of material…

Mesoscale and Nanoscale Physics · Physics 2025-10-01 Bharti Matta , Philipp Rosenzweig , Craig Polley , Ulrich Starke , Kathrin Küster

Atomic-scale control over band alignment in single-layer lateral heterostructures (LHSs) of dissimilar transition metal dichalcogenides (TMDCs) is critical for nextgeneration electronic, optoelectronic, and quantum technologies. However,…

Electrochemical intercalation is a powerful method for tuning the electronic properties of layered solids. In this work, we report an electro-chemical strategy to controllably intercalate lithium ions into a series of van der Waals (vdW)…

The van der Waals interactions between two parallel graphitic nanowiggles (GNWs) are calculated using the coupled dipole method (CDM). The CDM is an efficient and accurate approach to determine such interactions explicitly by taking into…

Mesoscale and Nanoscale Physics · Physics 2013-07-29 Anh D. Phan , Lilia M. Woods , The-Long Phan

2D van der Waals heterostructures (vdWH) can result in novel functionality that crucially depends on interfacial structure and disorder. Bubbles at the vdWH interface can modify the interfacial structure. We probe the dynamics of a bubble…

Mesoscale and Nanoscale Physics · Physics 2022-09-27 L. D. Varma Sangani , Supriya Mandal , Sanat Ghosh , Kenji Watanabe , Takashi Taniguchi , Mandar M. Deshmukh

That one can stack van der Waals materials with atomically sharp interfaces has provided a new material platform of constructing heterostructures. The technical challenge of mechanical stacking is picking up the exfoliated atomically thin…

Van der Waals (vdW) coupling is emerging as a powerful method to engineer and tailor physical properties of atomically thin two-dimensional (2D) materials. In graphene/graphene and graphene/boron-nitride structures it leads to interesting…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Kaihui Liu , Liming Zhang , Ting Cao , Chenhao Jin , Diana Qiu , Qin Zhou , Alex Zettl , Peidong Yang , Steve G. Louie , Feng Wang

The study of van der Waals (vdW) materials has seen increased interest in recent years, due to the wide range of uses for these materials because of their unique mechanical, electronic, and optical properties. This area has recently…

Mesoscale and Nanoscale Physics · Physics 2023-11-02 Sivakumar Vishnuvardhan Mambakkam , Stephanie Law

We use first-principles calculations to show that van der Waals (vdW) heterostructures consisting of few-layer Bi$_2$Se$_3$ and PtSe$_2$ exhibit electronic and spintronics properties that can be tuned by varying the constituent layers.…

Mesoscale and Nanoscale Physics · Physics 2020-12-15 Shahid Sattar , J. Andreas Larsson

Layered van der Waals (vdW) materials have emerged as a promising platform for nanophotonics due to large refractive indexes and giant optical anisotropy. Unlike conventional dielectrics and semiconductors, the absence of covalent bonds…

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…

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