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Van der Waals (vdW) solids, as a new type of artificial materials that consist of alternating layers bonded by weak interactions, have shed light on fascinating optoelectronic device concepts. As a result, a large variety of vdW devices…

Vertical stacking of two-dimensional (2D) crystals, such as graphene and hexagonal boron nitride, has recently lead to a new class of materials known as van der Waals heterostructures (vdWHs) with unique and highly tunable electronic…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 Kirsten Andersen , Simone Latini , Kristian S. Thygesen

The van der Waals coefficients and the separation dependent retardation functions of the interactions between the atomically thin films of the multi-layered transition metal molybdenum disulfide (MoS$_2$) dichalcogenides with the alkali…

Materials Science · Physics 2020-08-12 Shankar Dutt , Sukhjit Singh , A. Mahajan , Bindiya Arora , B. K. Sahoo

We investigate theoretically the adhesion and electronic properties of graphene on a muscovite mica surface using the density functional theory (DFT) with van der Waals (vdW) interactions taken into account (the vdW-DF approach). We found…

Mesoscale and Nanoscale Physics · Physics 2011-01-25 A. N. Rudenko , F. J. Keil , M. I. Katsnelson , A. I. Lichtenstein

The electronic properties and optical excitations are investigated in the geometry- and field-modulated bilayer graphene systems, respectively, by using the tight-binding model and Kubo formula. The stacking symmetry of bilayer graphene can…

Mesoscale and Nanoscale Physics · Physics 2019-07-23 Chiun-Yan Lin , Ming-Fa Lin

Within the frame of macroscopic quantum electrodynamics in causal media, the van der Waals interaction between an atomic system and an arbitrary arrangement of dispersing and absorbing dielectric bodies including metals is studied. It is…

Quantum Physics · Physics 2007-05-23 Stefan Yoshi Buhmann , Ho Trung Dung , Dirk-Gunnar Welsch

Undoped graphene (Gr) sheets at low temperatures are known, via Random Phase Approximation (RPA) calculations, to exhibit unusual van der Waals (vdW) forces. Here we show that graphene is the first known system where effects beyond the RPA…

Strongly Correlated Electrons · Physics 2014-06-03 John F. Dobson , Tim Gould , Giovanni Vignale

We investigate the impact of mechanical strain, stacking order, and external electric fields on the magnetic interactions of a two-dimensional (2D) van der Waals (vdW) heterostructure in which a 2D ferromagnetic metallic Fe$_3$GeTe$_2$…

Materials Science · Physics 2023-03-30 Dongzhe Li , Soumyajyoti Haldar , Tim Drevelow , Stefan Heinze

Vertical stacking of monolayers via van der Waals assembly is an emerging field that opens promising routes toward engineering physical properties of two-dimensional (2D) materials. Industrial exploitation of these engineering…

The cohesive energy, equilibrium lattice constant, and bulk modulus of noble metals are computed by different van der Waals-corrected Density Functional Theory methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10 and PBE-D. Two…

Chemical Physics · Physics 2016-07-27 Alberto Ambrosetti , Pier Luigi Silvestrelli

We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals…

Materials Science · Physics 2015-02-27 Towfiq Ahmed , N. A. Modine , Jian-Xin Zhu

Recent discovery of a novel hexagonal phase of GeSe (Gamma-GeSe) has triggered great interests in nanoelectronics applications owing to its electrical conductivity of bulk phase even higher than graphite while its monolayer is a…

Materials Science · Physics 2022-10-19 Changmeng Huan , Pu Wang , Bingtao Liu , Binghan He , Yongqing Cai , Qingqing Ke

The behavior of single layer van der Waals (vdW) materials is profoundly influenced by the immediate atomic environment at their surface, a prime example being the myriad of emergent properties in artificial heterostructures. Equally…

We describe here a theory of a quantum dot in an electrically tunable MoSe$_2$/WSe$_2$ heterostructure. Van der Waals heterostructures allow for tuning their electronic properties beyond their monolayer counterparts. We start by determining…

Mesoscale and Nanoscale Physics · Physics 2024-12-23 Katarzyna Sadecka , Maciej Bieniek , Paulo E. Faria Junior , Arkadiusz Wójs , Paweł Hawrylak , Jarosław Pawłowski

We propose a system where coherent thermal transport between two reservoirs in non-galvanic contact is modulated by independently tuning the electron-photon and the electron-phonon coupling. The scheme is based on two gate-controlled…

Mesoscale and Nanoscale Physics · Physics 2017-08-18 Federico Paolucci , Giuliano Timossi , Paolo Solinas , Francesco Giazotto

The spin and valley polarizations and plasmonics in Van der Waals heterostructures of strained graphene monolayer on 2D transition metal dichalcogenide (GrTMD) substrate are reported in this communication. The substrate induced interactions…

Mesoscale and Nanoscale Physics · Physics 2017-09-05 Partha Goswami

Interfaces of van der Waals (vdW) materials such as graphite and hexagonal boron nitride (hBN) exhibit low-friction sliding due to their atomically-flat surfaces and weak vdW bonding. We demonstrate that microfabricated gold also slides…

We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…

Materials Science · Physics 2010-08-17 Kyuho Lee , Éamonn D. Murray , Lingzhu Kong , Bengt I. Lundqvist , David C. Langreth

We demonstrate a vertical field-effect transistor based on a graphene/MoSe2 van der Waals (vdW) heterostructure. The vdW interface between the graphene and MoSe2 exhibits a Schottky barrier with an ideality factor of around 1.3, suggesting…

Mesoscale and Nanoscale Physics · Physics 2015-07-21 Yohta Sata , Rai Moriya , Sei Morikawa , Naoto Yabuki , Satoru Masubuchi , Tomoki Machida

The individual building blocks of van der Waals (vdW) heterostructures host fascinating physical phenomena, ranging from ballistic electron transport in graphene to striking optical properties of MoSe2 sheets. The presence of bonded and…

Disordered Systems and Neural Networks · Physics 2016-06-14 Nouamane Laanait , Zhan Zhang , Christian M. Schleputz , Ying Liu , Michael Wojcik , Rachael L. Myers-Ward , D. Kurt Gaskill , Paul Fenter , Lian Li