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Related papers: Point Defects and Localized Excitons in 2D WSe2

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Nickel ditelluride (NiTe2), a new discovered type-II Dirac semimetal whose Dirac node lies close to its Fermi level, is expected to exhibit exotic phenomena including Lifshitz transition and superconductivity. As we know, defects are…

With reduced degrees of freedom, structural defects are expected to play a greater role in two-dimensional materials in comparison to their bulk counterparts. In particular, mechanical strength, electronic properties, and chemical…

Materials Science · Physics 2016-04-05 Xiaolong Liu , Itamar Balla , Hadallia Bergeron , Mark C. Hersam

2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit.…

Materials Science · Physics 2025-04-24 Viet-Anh Ha , Feliciano Giustino

Associating the presence of atomic vacancies to excited-state transport phenomena in two dimensional semiconductors is of emerging interest, and demands detailed understanding of the involved exciton transitions. Here we study the effect of…

Mesoscale and Nanoscale Physics · Physics 2023-10-05 Daniel Hernangómez-Pérez , Amir Kleiner , Sivan Refaely-Abramson

Using the path-integral Monte Carlo method, we calculate the energy to form single and pair vacancies and interstitials in a two-dimensional Wigner crystal of electrons. We confirm that the lowest-lying energy defects of a 2D electron…

Condensed Matter · Physics 2009-10-31 Ladir Cândido , Philip Phillips , D. M. Ceperley

Two-dimensional transition metal dichalcogenides (MX$_2$) vacancy formation energetics is extensively investigated. Within an ab-initio approach we study the MX$_2$ systems, with M=Mo, W, Ni, Pd and Pt, and X=S, Se, and Te. Here we classify…

Materials Science · Physics 2023-04-17 Rafael L. H. Freire , Felipe Crasto de Lima , Adalberto Fazzio

Monolayers of transition metal dichalcogenides (TMDs) have recently emerged as a promising optoelectronic platform. To leverage their full potential, however, it is important to understand and engineer the properties of the different…

We analyze Ge-related defects in Ge-doped SiO_2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO_2 naturally set up oxygen deficiency, with vacancy…

Materials Science · Physics 2009-11-07 C. M. Carbonaro , V. Fiorentini , F. Bernardini

The thermal conductivities of pristine and defective tungsten diselenide (WSe2) are investigated by using equilibrium molecular dynamics method. The thermal conductivity of WSe2 increases dramatically with size below a characteristic with…

Materials Science · Physics 2022-06-13 Bowen Wang , Xuefei Yan , Hejin Yan , Yongqing Cai

Strongly bound excitons confined in two-dimensional (2D) semiconductors are dipoles with a perfect in-plane orientation. In a vertical stack of semiconducting 2D crystals, such in-plane excitonic dipoles are expected to efficiently couple…

Chalcogen vacancies in transition metal dichalcogenides are widely acknowledged as both donor dopants and as a source of disorder. The electronic structure of sulphur vacancies in MoS2 however is still controversial, with discrepancies in…

Using accurate first-principles calculations based on many-body perturbation theory we predict that two-dimensional MoS$_2$ hosts edge excitons with universal character, intrinsic to the existence of edges and lying well below the onset of…

Mesoscale and Nanoscale Physics · Physics 2020-05-06 Pino D'Amico , Marco Gibertini , Deborah Prezzi , Daniele Varsano , Andrea Ferretti , Nicola Marzari , Elisa Molinari

Momentum resolved electron energy-loss spectroscopy was used to measure the dispersions of excitons in a free-standing monolayer of WSe2. Besides the parabolically dispersed valley excitons, a sub-gap dispersive exciton was observed at…

Materials Science · Physics 2020-03-04 Jinhua Hong , Ryosuke Senga , Thomas Pichler , Kazu Suenaga

Properties of semiconductors are largely defined by crystal imperfections including native defects. Van der Waals (vdW) semiconductors, a newly emerged class of materials, are no exception: defects exist even in the purest materials and…

The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunneling microscopy (STM) measurements on the prototypical…

Chemical vapor deposition (CVD) allows lateral edge epitaxy of transition metal dichalcogenide heterostructures with potential applications in optoelectronics. Critical for carrier and exciton transport is the quality of the two materials…

We report an efficient method to observe single photon emissions in monolayer WSe2 by applying hydrostatic pressure. The photoluminescence peaks of typical two-dimensional (2D) excitons show a nearly identical pressure-induced blue-shift,…

Materials Science · Physics 2017-07-05 Yanxia Ye , Xiuming Dou , Kun Ding , Yu Chen , Desheng Jiang , Fuhua Yang , Baoquan Sun

Atomically thin films of III-VI post-transition metal chalcogenides (InSe and GaSe) form an interesting class of two-dimensional semiconductor that feature strong variations of their band gap as a function of the number of layers in the…

Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…

Materials Science · Physics 2014-03-13 Weijie Zhao , Zohreh Ghorannevis , Leiqiang Chua , Minglin Toh , Christian Kloc , Ping-Heng Tan , Goki Eda

The research field of two dimensional (2D) materials strongly relies on optical microscopy characterization tools to identify atomically thin materials and to determine their number of layers. Moreover, optical microscopy-based techniques…