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In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…

材料科学 · 物理学 2024-01-18 Oguzhan Orhan , Şener Özönder , Soner Ozgen

The stacking order and twist angle provide abundant opportunities for engineering band structures of two-dimensional materials, including the formation of moire bands, flat bands, and topologically nontrivial bands. The inversion symmetry…

Strain-induced lattice mismatch leads to moir\'{e} patterns in homobilayer transition metal dichalcogenides (TMDs). We investigate the structural and electronic properties of such strained moir\'{e} patterns in TMD homobilayers. The…

材料科学 · 物理学 2025-10-21 Sudipta Kundu , Indrajit Maity , Robin Bajaj , H. R. Krishnamurthy , Manish Jain

The moir\'e pattern observed in stacked non-commensurate crystal lattices, such as hetero-bilayers of transition metal dichalcogenides, produces a periodic modulation of their bandgap. Excitons subjected to this potential landscape exhibit…

其他凝聚态物理 · 物理学 2021-09-08 I. R. Lavor , D. R. da Costa , L. Covaci , M. V. Milošević , F. M. Peeters , A. Chaves

Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…

材料科学 · 物理学 2017-01-10 Zhihao Yu , Zhun-Yong Ong , Songlin Li , Jian-Bin Xu , Gang Zhang , Yong-Wei Zhang , Yi Shi , Xinran Wang

Van der Waals heterostructures based on TMDC semiconducting materials have emerged as promising materials due to their spin-valley properties efficiently contrived by the stacking-twist angle. The twist angle drastically alters the…

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

介观与纳米尺度物理 · 物理学 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

The long wavelength moir\'e superlattices in twisted 2D structures have emerged as a highly tunable platform for strongly correlated electron physics. We study the moir\'e bands in twisted transition metal dichalcogenide homobilayers,…

介观与纳米尺度物理 · 物理学 2021-11-19 Trithep Devakul , Valentin Crépel , Yang Zhang , Liang Fu

There is a substantial interest in the heterostructures of semiconducting transition metal dichalcogenides (TMDCs) amongst each other or with arbitrary materials, through which the control of the chemical, structural, electronic,…

Transition metal dichalcogenide moir\'e homobilayers have emerged as a platform in which magnetism, strong correlations, and topology are intertwined. In a large magnetic field, the energetic alignment of states with different spin in these…

The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the…

Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…

材料科学 · 物理学 2023-08-10 Alaa Akkoush , Yair Litman , Mariana Rossi

The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as "twistronics". A…

介观与纳米尺度物理 · 物理学 2017-02-22 Stephen Carr , Daniel Massatt , Shiang Fang , Paul Cazeaux , Mitchell Luskin , Efthimios Kaxiras

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

The emerging field of twistronics, which harnesses the twist angle between two-dimensional materials, represents a promising route for the design of quantum materials, as the twist-angle-induced superlattices offer means to control topology…

We present a systematic theoretical study on the structural and electronic properties of twisted trilayer transition metal dichalcogenide (TMD) WSe$_2$, where two independent moir\'e patterns form between adjacent layers. Using a continuum…

介观与纳米尺度物理 · 物理学 2025-12-19 Naoto Nakatsuji , Takuto Kawakami , Hayato Tateishi , Koichiro Kato , Mikito Koshino

Stacking variations in quasi-2D materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals interactions makes it difficult to compute…

材料科学 · 物理学 2022-01-10 John A. Schneeloch , Yu Tao , Jaime A. Fernandez-Baca , Guangyong Xu , Despina Louca

The twist angle in transition metal dichalcogenide (TMD) heterobilayers is a compelling degree of freedom that determines electron correlations and the period of lateral confinement of moir\'e excitons. Here we perform polarization-resolved…

Two-dimensional transition metal dichalcogenides (TMDs) offer tunable optical and electronic properties, making them highly promising for next-generation optoelectronic devices. One effective approach to engineering these properties is…

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…