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The Berry curvature dipole is a physical quantity that is expected to allow various quantum geometrical phenomena in a range of solid-state systems. Monolayer transition metal dichalcogenides provide an exceptional platform to modulate and…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Joolee Son , Kyung-Han Kim , Y. H. Ahn , Hyun-Woo Lee , Jieun Lee

The mechanical and electronic properties of transition metal dichalcogenide (TMD) monolayers corresponding to transition groups IV, VI, and X are explored under mechanical bending from first principles calculations using the strongly…

Materials Science · Physics 2019-07-19 Niraj K. Nepal , Liping Yu , Qimin Yan , Adrienn Ruzsinszky

Transition metal dichalcogenides (TMDs) have garnered significant research interest due to the variation in band-edge locations within the hexagonal Brillouin zone between single-layer and bulk configurations. In monolayers, the conduction…

Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In this work, we study the electronic structure of twisted…

Materials Science · Physics 2021-05-18 Valerio Vitale , Kemal Atalar , Arash A. Mostofi , Johannes Lischner

We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…

Mesoscale and Nanoscale Physics · Physics 2016-10-14 Alexander J. Pearce , Eros Mariani , Guido Burkard

We present a three-band tight-binding (TB) model for describing the low-energy physics in monolayers of group-VIB transition metal dichalcogenides $MX_2$ ($M$=Mo, W; $X$=S, Se, Te). As the conduction and valence band edges are predominantly…

Materials Science · Physics 2014-03-07 Gui-Bin Liu , Wen-Yu Shan , Yugui Yao , Wang Yao , Di Xiao

Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in…

Materials Science · Physics 2020-09-29 Sadegh Imani Yengejeh , William Wen , Yun Wang

Tuning physical properties of transition metal dichalcogenide (TMD) monolayers by strain engineering have most widely studied, and recently Janus TMD monolayer MoSSe has been synthesized. In this work, we systematically study biaxial strain…

Materials Science · Physics 2018-08-01 San-Dong Guo

Recently, the topological flat bands and spin Hall effect have been experimentally observed in the AB-stacked MoTe$_2$/WSe$_2$ heterostructures. In this work, we systematically study the Berry curvature effects in moir\'{e} transition metal…

Mesoscale and Nanoscale Physics · Physics 2023-03-01 Jin-Xin Hu , Ying-Ming Xie , K. T. Law

The spatial texture of internal degree of freedom of electrons has profound effects on the properties of materials. Such texture in real space can manifest as an emergent magnetic field (or Berry curvature), which is expected to induce…

Mesoscale and Nanoscale Physics · Physics 2020-09-08 Dawei Zhai , Wang Yao

The electronic topology is generally related to the Berry curvature, which can induce the anomalous Hall effect in time-reversal symmetry breaking systems. Intrinsic monolayer transition metal dichalcogenides possesses two nonequivalent K…

Mesoscale and Nanoscale Physics · Physics 2021-07-07 Mao-Sen Qin , Peng-Fei Zhu , Xing-Guo Ye , Wen-Zheng Xu , Zhen-Hao Song , Jing Liang , Kaihui Liu , Zhi-Min Liao

Magnetic semimetals have increasingly emerged as lucrative platforms hosting spin-based topological phenomena in real and momentum spaces. Of particular interest is the emergence of Berry curvature, whose geometric origin, accessibility…

Recently, signatures of nonlinear Hall effects induced by Berry-curvature dipoles have been found in atomically thin 1T'/Td-WTe$_2$. In this work, we show that in strained polar transition-metal dichalcogenides(TMDs) with 2H-structures,…

Mesoscale and Nanoscale Physics · Physics 2020-02-24 Benjamin T. Zhou , Cheng-Ping Zhang , K. T. Law

Transition metal dichalcogenides (TMDs) are promising candidates for a wide variety of ultrascaled electronic, quantum computation, and optoelectronic applications. The exponential decay of electronic density of states into the bandgap,…

Mesoscale and Nanoscale Physics · Physics 2023-08-04 Prasad Sarangapani , James Charles , Tillmann Kubis

Using hybrid density functional calculations including spin-orbit coupling, we compute the strain evolution of the band structure of monolayer 1H-phase transition-metal dichalcogenides, MX$_2$ (M= Mo, W; X= S, Se, Te), emphasizing an…

Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple…

Materials Science · Physics 2021-08-04 Mengli Hu , Guofu Ma , Chun Yu Wan , Junwei Liu

Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…

Materials Science · Physics 2014-03-04 Mahdi Ghorbani-Asl , Stefano Borini , Agnieszka Kuc , Thomas Heine

The topological properties of a material's electronic structure are encoded in its Berry curvature, a quantity which is intimately related to the transverse electrical conductivity. In transition metal dichalcogenides with broken inversion…

Mesoscale and Nanoscale Physics · Physics 2020-10-21 Fei Xue , V. P. Amin , P. M. Haney

Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…

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…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim
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