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By using the first-principles method based on density of functional theory, we study the electronic properties of twisted bilayer graphene with some specific twist angles and interlayer spacings. With the decrease of the twist angle(the…

Mesoscale and Nanoscale Physics · Physics 2019-04-05 Xun-Wang Yan , Jing Li , Yanyun Wang , Miao Gao

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

Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine here ab initio calculations with correlated model approaches…

Strongly Correlated Electrons · Physics 2025-10-03 Marta Brzezińska , Sergii Grytsiuk , Malte Rösner , Marco Gibertini , Louk Rademaker

Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…

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…

We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Yulei Han , Yafei Ren , Xinlong Dong , Junjie Zeng , Wei Ren , Zhenhua Qiao

Twisted 2D layered materials have garnered a lot of attention recently as a class of 2D materials whose interlayer interactions and electronic properties are dictated by the relative rotation / twist angle between the adjacent layers. In…

Twisted layers of atomically thin two-dimensional materials realize a broad range of novel quantum materials with engineered optical and transport phenomena arising from spin and valley degrees of freedom and strong electron correlations in…

Interlayer coupling plays a critical role in van der Waals materials by governing lattice stability and emergent quantum phases, yet its impact on few-layer hexagonal CoTe$_2$ remains unclear. Here, using first-principles calculations, we…

Materials Science · Physics 2026-03-24 Wenping Chen , Ziyun Zhang , Feipeng Zheng

The generalized tight-binding model is developed to investigate the magneto-electronic properties in twisted bilayer graphene system. All the interlayer and intralayer atomic interactions are included in the Moire superlattice. The twisted…

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

The interlayer couplings in commensurate and incommensurate bilayer structures of transition metal dichalcogenides are investigated with perturbative treatment. The interlayer coupling in \pm K valleys can be decomposed into a series of…

Mesoscale and Nanoscale Physics · Physics 2017-03-28 Yong Wang , Zhan Wang , Wang Yao , Gui-Bin Liu , Hongyi Yu

We introduce and classify nonequivalent commensurate stackings for bilayer dice or $\mathcal{T}_3$ lattice. For each of the four stackings with vertical alignment of sites in two layers, a tight-binding model and an effective model…

Mesoscale and Nanoscale Physics · Physics 2023-09-06 P. O. Sukhachov , D. O. Oriekhov , E. V. Gorbar

The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…

Materials Science · Physics 2022-02-28 Siow Mean Loh , Nicholas D. M. Hine

From atomic crystals to macroscopic material structures, twisted bilayer systems have emerged as a promising route to control wave phenomena. In few-layer van der Waals (vdW) materials, however, the intrinsically weak interlayer coupling…

Twisted bilayer graphene with a twist angle of around 1.1{\deg} features a pair of isolated flat electronic bands and forms a strongly correlated electronic platform. Here, we use scanning tunneling microscopy to probe local properties of…

Twisted van der Waals bilayers provide an ideal platform to study the electron correlation in solids. Of particular interest is the 30 degree twisted bilayer honeycomb lattice system, which possesses an incommensurate Moire pattern and…

Materials Science · Physics 2019-12-19 Yu-Hao Shen , Wen-Yi Tong , He Hu , Jun-Ding Zheng , Chun-Gang Duan

Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands…

Computational Physics · Physics 2022-03-01 Shengdan Tao , Xuanlin Zhang , Jiaojiao Zhu , Pimo He , Shengyuan A. Yang , Yunhao Lu , Su-Huai Wei

Controlling ion transport is a fundamental challenge for advanced energy storage. Bilayer graphene offers a unique platform for modulating ion diffusion via twist-angle-dependent moire superlattices, yet conventional stacking configurations…

Materials Science · Physics 2026-03-31 Gen Fukuzawa , Yebin Lee , Teruyasu Mizoguchi

Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rather weak for energetics. Such characteristics result in…

Materials Science · Physics 2019-04-03 Peiheng Jiang , Cong Wang , Dachuan Chen , Zhicheng Zhong , Zhe Yuan , Zhong-Yi Lu , Wei Ji

The interlayer coupling is emerging as a new parameter for tuning the physical properties of two-dimensional (2D) van der Waals materials. When two identical semiconductor monolayers are stacked with a twist angle, the periodic interlayer…

Mesoscale and Nanoscale Physics · Physics 2022-09-16 Jing Liang , Dongyang Yang , Jingda Wu , Jerry I Dadap , Kenji Watanabe , Takashi Taniguchi , Ziliang Ye