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MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…

Mesoscale and Nanoscale Physics · Physics 2019-02-27 Rui Li , Weiwei Sun , Cheng Zhan , Paul R. C. Kent , De-en Jiang

We report on first-principle calculations on magnetic proximity effect in a van der Waals heterostructure formed by a graphene monolayer induced by its interaction with a two-dimensional (2D) ferromagnet (chromium tribromide, CrBr3). We…

Mesoscale and Nanoscale Physics · Physics 2019-11-15 Sushant Kumar Behera , Mayuri Bora , Sapta Sindhu Paul Chowdhury , Pritam Deb

Imaging ellipsometry studies of graphene on SiO2/Si and crystalline GaAs are presented. We demonstrate that imaging ellipsometry is a powerful tool to detect and characterize graphene on any flat substrate. Variable angle spectroscopic…

Atomically thin vanadium diselenide (VSe2 ) is a two-dimensional transition metal dichalcogenide exhibiting attractive properties due to its metallic 1T-phase. With the recent development of methods to manufacture high-quality monolayer VSe…

Strongly Correlated Electrons · Physics 2021-05-14 Tae Gwan Park , Byoung Ki Choi , Junho Park , Jungdae Kim , Young Jun Chang , Fabian Rotermund

The advent of graphene and other two-dimensional van der Waals materials, with their unique electrical, optical, and thermal properties, has resulted in tremendous progress for fundamental science. Recent developments suggest that taking…

Mesoscale and Nanoscale Physics · Physics 2022-06-27 Alexander A. Balandin , Fariborz Kargar , Tina T. Salguero , Roger K. Lake

Spintronics has become a broad and important research field that intersects with magnetism, nano-electronics, and materials science. Its overarching aim is to provide a fundamental understanding of spin-dependent phenomena in solid-state…

Mesoscale and Nanoscale Physics · Physics 2025-04-29 David T. S. Perkins , Aires Ferreira

The ability to directly observe electronic band structure in modern nanoscale field-effect devices could transform understanding of their physics and function. One could, for example, visualize local changes in the electrical and chemical…

Van der Waals heterostructures consisting of graphene and transition metal dichalcogenides (TMDCs) have recently shown great promise for high-performance optoelectronic applications. However, an in-depth understanding of the critical…

Two-dimensional materials and their van der Waals heterostructures enable a large range of applications, including label-free biosensing. Lattice mismatch and work function difference in the heterostructure material result in strain and…

Mesoscale and Nanoscale Physics · Physics 2021-11-19 Tetyana Ignatova , Sajedeh Pourianejad , Xinyi Li , Kirby Schmidt , Frederick Aryeetey , Shyam Aravamudhan , Slava V. Rotkin

For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…

Materials Science · Physics 2014-07-15 Xiaobin Chen , Fuyang Tian , Clas Persson , Wenhui Duan , Nanxian Chen

The idea of combining different two-dimensional (2D) crystals in van der Waals heterostructures (vdWHs) has led to a new paradigm for band structure engineering with atomic precision. Due to the weak interlayer couplings, the band…

Mesoscale and Nanoscale Physics · Physics 2017-03-10 Kirsten T. Winther , Kristian S. Thygesen

Van der Waals heterostuctures, made from stacks of two-dimensional materials, exhibit unique light-matter interactions and are promising for novel optoelectronic devices. The performance of such devices is governed by near-field coupling…

Mesoscale and Nanoscale Physics · Physics 2018-01-23 Guillaume Froehlicher , Etienne Lorchat , Stéphane Berciaud

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

Strain engineering has been recently recognized as an effective way to tailor the electrical properties of graphene. In the optical domain, effects such as strain-induced anisotropic absorption add an appealing functionality to graphene,…

Mesoscale and Nanoscale Physics · Physics 2013-12-31 Guang-Xin Ni , Hong-Zhi Yang , Wei Ji , Seung-Jae Baeck , Chee-Tat Toh , Jong-Hyun Ahn , Vitor M. Pereira , Barbaros Özyilmaz

We investigate theoretically the light reflectance of a graphene layer prepared on the top of one-dimensional Si/SiO2 photonic crystal (1DPC). It is shown that the visibility of the graphene layers is enhanced greatly when 1DPC is added,…

Materials Science · Physics 2009-11-13 Kai Chang , J. T. Liu , N. Dai , J. B. Xia

We use density functional theory (DFT) with a recently developed van der Waals density functional (vdW-DF) to study the adsorption of graphene on Al, Cu, Ag, Au, Pt, Pd, Co and Ni(111) surfaces. In constrast to the local density…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 M. Vanin , J. J. Mortensen , A. K. Kelkkanen , J. M. Garcia-Lastra , K. S. Thygesen , K. W. Jacobsen

We demonstrate that surface relaxation, which is insignificant in trilayer graphene, starts to manifest in Bernal-stacked tetralayer graphene. Bernal-stacked few-layer graphene has been investigated by analyzing its Landau level spectra…

The richness of optical and electronic properties of graphene attracts enormous interest. Graphene has high mobility and optical transparency, in addition to flexibility, robustness and environmental stability. So far, the main focus has…

Materials Science · Physics 2015-05-19 F. Bonaccorso , Z. Sun , T. Hasan , A. C. Ferrari

We examine the competition between adhesive and bending energies for few-layered graphene samples placed on rigid, microscale-corrugated substrates. Using atomic force microscopy, we show that the graphene undergoes a sharp "snap-through"…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Scott Scharfenberg , Nikhita Mansukhani , Cesar Chialvo , Richard L. Weaver , Nadya Mason

Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…

Materials Science · Physics 2023-05-23 H. D. Etea , K. N. Nigussa