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In this work, we employ the LDA, GGA and GGA with four vdW corrections to study crystal and electronic structures of bilayer transition metal dichalcogenides (TMDs) with different twist angles. We find the GGA interlayer distance of bilayer…

Materials Science · Physics 2020-12-08 Feng Sun , Ting Luo , Lin Li , Aijun Hong , Cailei Yuan , Wei Zhang

The evolution of the physical properties of two-dimensional material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase…

We develop a twist-angle transferable continuum model for twisted transition metal dichalcogenide (tTMD) homobilayers, using tMoTe2 and tWSe2 as examples. All model parameters are extracted from density functional theory (DFT) calculations…

Materials Science · Physics 2025-08-26 Xiao-Wei Zhang , Kaijie Yang , Chong Wang , Xiaoyu Liu , Ting Cao , Di Xiao

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

Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…

We report the observations of unexpected layer-dependent, strong, and anisotropic second harmonic generations (SHGs) in atomically thin ReS2. Appreciable (negligible) SHGs are obtained from even (odd) numbers of ReS2 layers, which is…

Optics · Physics 2018-08-20 Yu Song , Siqi Hu , Miao-Ling Lin , Xuetao Gan , Ping-Heng Tan , Jianlin Zhao

Twisted 2D material heterostructures provide an exciting platform for investigating new fundamental physical phenomena. Many of the most interesting behaviours emerge at small twist angles, where the materials reconstruct to form areas of…

Two-dimensional (2D) transition metal dicakcoganite (TMD) materials have unique electronic and optical properties. The electronic band structures of the materials alter as a function of layer numbers, which results in modifications to the…

Applied Physics · Physics 2025-02-18 Bilal Bera Meric , Ayse Erol , Fahrettin Sarcan

Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…

Artificially engineered twisted van der Waals (vdW) heterostructures have unlocked new pathways for exploring emergent quantum phenomena and strongly correlated electronic states. Many of these phenomena are highly sensitive to the twist…

Layered transition metal dichalcogenides (TMDs) stabilize in multiple structural forms with profoundly distinct and exotic electronic phases. Interfacing different layer types is a promising route to manipulate TMDs' properties, not only as…

The use of relative twist angle between adjacent atomic layers in a van der Waals heterostructure, has emerged as a new degree of freedom to tune electronic and optoelectronic properties of devices based on 2D materials. Using ABA-stacked…

Transition Metal Dichalcogenides (TMDs) are one of the most studied two-dimensional materials in the last 5-10 years due to their extremely interesting layer dependent properties. Despite the presence of vast research work on TMDs, the…

Chemical Physics · Physics 2019-11-27 Kamalika Ghatak , Kyung Nam Kang , Eui-Hyeok Yang , Dibakar Datta

Motivated by the triumph and limitation of graphene for electronic applications, atomically thin layers of group VI transition metal dichalcogenides are attracting extensive interest as a class of graphene-like semiconductors with a desired…

Mesoscale and Nanoscale Physics · Physics 2013-04-17 Hualing Zeng , Gui-Bin Liu , Junfeng Dai , Yajun Yan , Bairen Zhu , Ruicong He , Lu Xie , Shijie Xu , Xianhui Chen , Wang Yao , Xiaodong Cui

Twisted 2D materials form complex moir\'e structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three…

The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…

Two-dimensional monolayer transition metal dichalcogenides (TMDs) have unique optical and electronic properties for applications pertaining to field effect transistors, light emitting diodes, photodetectors, and solar cells. Vertical…

Understanding the mechanisms and spatial correlations of crystallographic symmetry breaking in ferroelectric materials is essential to tuning their functional properties. While optical second harmonic generation (SHG) has long been utilized…

Materials Science · Physics 2022-08-10 Wei Li , Yunpeng Ma , Tianyi Feng , Sergei V. Kalinin , Jing-Feng Li , Qian Li

We report the observation of optical second harmonic generation (SHG) in single-layer indium selenide (InSe). We measure a second harmonic signal of $>10^3$ $\textrm{cts/s}$ under nonresonant excitation using a home-built confocal…

The stacking order of two-dimensional transition metal dichalcogenides (TMDs) is attracting tremendous interest as an essential component of van der Waals heterostructures. A common and fast approach to distinguish between the AAprime (2H)…