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We employ ab-initio electronic structure calculations to investigate the charge-density waves and periodic lattice distortions in bilayer 2H-NbSe$_2$. We demonstrate that the vertical stacking can give rise to a variety of patterns that may…

Strongly Correlated Electrons · Physics 2024-11-08 Fabrizio Cossu , Dhani Nafday , Krisztian Palotás , Mehdi Biderang , Heung-Sik Kim , Alireza Akbari , Igor Di Marco

Twisted bilayers of two-dimensional materials have emerged as a highly tunable platform for studying broken symmetry phases. While most interest has been focused on emergent states in systems whose constituent monolayers do not feature…

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

In this paper, the electrical and spin properties of mono- and bilayer HfSSe in the presence of a vertical electric field are studied. The density functional theory is used to investigate their properties. Fifteen different stacking orders…

Materials Science · Physics 2020-12-30 Nayereh Ghobadi , Shoeib Babaee Touski

Stacking-dependent magnetism in two-dimensional van der Waals materials offers an effective route for controlling magnetic order without chemical modification. Here, we present a combined first-principles and finite-temperature study of…

Materials Science · Physics 2026-05-19 Soumyajit Sarkar , Soham Chandra

Transition metal dichalcogenide (TMD) moir\'e bilayers have realized a wide range of strongly correlated and topological phenomena. The physics in these materials is often sensitive to the interlayer stacking order. Polarization-resolved…

Layered transition metal dichalcogenide 1T-NbSe_2 is a good candidate to explore the charge density wave (CDW) and Mott physics. However, the effects of stacking orders and interlayer coupling in CDW 1T-NbSe_2 are still less explored and…

Strongly Correlated Electrons · Physics 2022-10-07 Tao Jiang , Haotian Wang , Heng Gao , Qinghe Zheng , Zhenya Li , Wei Ren

For layered materials, the interlayer stacking is a critical degree of freedom tuning electronic properties, while its microscopic characterization faces great challenges. The transition-metal dichalcogenide 1T-TaS$_2$ represents a novel…

Materials Science · Physics 2025-08-01 Li Cheng , Linpeng Nie , Xuanyu Long , Li Liang , Dan Zhao , Jian Li , Zheng Liu , Tao Wu , Xianhui Chen , Xiaolong Zou

Tin chalcogenides (SnS, SnSe, and SnTe) are found to have improved thermoelectric properties upon the reduction of their dimensionality. Here we found the tilted AA + s stacked two-dimensional (2D) SnTe bilayer as the most stable phase…

Materials Science · Physics 2021-03-10 Abhiyan Pandit , Raad Haleoot , Bothina Hamad

The recent work on stanene as quantum spin Hall insulators made us investigate bilayer stanene using first principle calculations. With an aim of improving and developing new properties, via modulating the stacking order (and angle) of the…

Materials Science · Physics 2019-01-24 Mohammed Ghadiyali , Sajeev Chacko

Sliding bilayers are systems that exploit the possibility of relatively translating two monolayers along a specific direction in real space, such that different stackings could be implemented in the process. This simple approach allows for…

Mesoscale and Nanoscale Physics · Physics 2024-05-06 Sergio Bravo , P. A. Orellana , L. Rosales

The morphology and electronic structure of pentacene (Pn) deposited on Cu(111) was studied using scanning tunneling microscopy (STM) and spectroscopy (STS). Deposition of a multilayer followed by annealing to reduce coverage to a monolayer…

Mesoscale and Nanoscale Physics · Physics 2011-10-24 Joseph Smerdon , Matthias Bode , Nathan Guisinger , Jeffrey Guest

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…

Based on first-principles calculations, we explored the interplay between stacking effect and electron-electron correlation in the layered vdW material of bulk 1T-NbS2 with a 2D charge density wave (CDW) order. Without considering the…

Strongly Correlated Electrons · Physics 2022-01-19 Wei Wang , Chen Si , Wen Lei , Feng Xiao , Yunhui Liu , Carmine Autieri , Xing Ming

Stacking and twisting van der Waals materials provide a powerful tool to design quantum matter and engineer electron correlation. For instance, monolayers of 1T- and 1H-TaS2 are Mott insulating and metallic (also superconducting),…

Materials Science · Physics 2025-02-14 Hyeonhu Bae , Roser Valenti , Igor I. Mazin , Binghai Yan

Twist between neighboring layers and variation of interlayer distance are two extra ways to control the physical properties of stacked two-dimensional van der Waals materials without alteration of chemical compositions or application of…

Materials Science · Physics 2024-04-19 Li-Ya Qiao , Xiu-Cai Jiang , Ze Ruan , Yu-Zhong Zhang

Strain, both naturally occurring and deliberately engineered, can have a considerable effect on the structural and electronic properties of 2D and layered materials. Uniaxial or biaxial heterostrain modifies the stacking arrangement of…

Materials Science · Physics 2022-10-19 Nina C. Georgoulea , Stephen R. Power , Nuala M. Caffrey

In Bernal stacked bilayer graphene interlayer coupling significantly affects the electronic bandstructure compared to monolayer graphene. Here we present magnetotransport experiments on high-quality $n$-doped bilayer MoS$_{2}$. By measuring…

Mesoscale and Nanoscale Physics · Physics 2019-09-18 Riccardo Pisoni , Tim Davatz , Kenji Watanabe , Takashi Taniguchi , Thomas Ihn , Klaus Ensslin

Moire superlattices of transition metal dichalcogenide (TMD) bilayers have been shown to host correlated electronic states, which arises from the interplay of emergent moire potential and long-range Coulomb interactions. Here we…

Strongly Correlated Electrons · Physics 2021-04-28 Yang Zhang , Tongtong Liu , Liang Fu

The Janus structure, by combining properties of different transition metal dichalcogenide (TMD) monolayers in a single polar material, has attracted increasing research interest because of their particular structure and potential…

Materials Science · Physics 2020-01-08 San-Dong Guo , Xiao-Shu Guo
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