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Two-dimensional semiconductors - atomic layers of materials with covalent intra-layer bonding and weak (van der Waals or quadrupole) coupling between the layers - are a new class of materials with great potential for optoelectronic…

We explore the direct to indirect band gap transitions in MX$_2$ (M= Mo/W, X= S/Se) transition metal dichalcogenides heterobilayers for different system compositions, strains, and twist angles based on first principles density functional…

We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…

Mesoscale and Nanoscale Physics · Physics 2013-09-12 Hannu-Pekka Komsa , Arkady V. Krasheninnikov

ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium chains. They preserve inversion symmetry…

Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…

Materials Science · Physics 2026-01-21 Dante Zakhidov , Daniel A. Rehn , Evan J. Reed , Alberto Salleo

We detect electroluminescence in single layer molybdenum disulphide (MoS2) field-effect transistors built on transparent glass substrates. By comparing absorption, photoluminescence, and electroluminescence of the same MoS2 layer, we find…

Mesoscale and Nanoscale Physics · Physics 2017-07-26 R. S. Sundaram , M. Engel , A. Lombardo , R. Krupke , A. C. Ferrari , Ph. Avouris , M. Steiner

Atomically thin group-VIB transition metal dichalcogenides (TMDs) have recently emerged as a new class of two-dimensional (2D) semiconductors with extraordinary properties including the direct band gap in the visible frequency range, the…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Gui-Bin Liu , Di Xiao , Yugui Yao , Xiaodong Xu , Wang Yao

Few-layered transition metal dichalcogenides (TMDs) are increasingly popular materials for optoelectronics and catalysis. Amongst the various types of TMDs available today, rhenium-chalcogenides (ReX2) stand out due to their remarkable…

Transition metal dichalcogenide (TMD) materials have attracted substantial interest due to their remarkable excitonic, optical, electrical, and mechanical properties, which are highly dependent on their crystal structure. Controlling the…

We investigate transport through ionic liquid gated field effect transistors (FETs) based on exfoliated crystals of semiconducting WS$_2$. Upon electron accumulation, at surface densities close to -or just larger than- 10$^{14}$ cm$^{-2}$,…

Mesoscale and Nanoscale Physics · Physics 2015-01-27 Sanghyun Jo , Davide Costanzo , Helmuth Berger , Alberto F. Morpurgo

We present an electrostatic theory of band gap renormalization in atomically-thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such…

Materials Science · Physics 2018-01-24 Yeongsu Cho , Timothy C. Berkelbach

Transition metal dichalcogenide (TMD) materials have received enormous attention due to their extraodinary optical and electrical properties, among which MoS2 is the most typical one. As thickness increases from monolayer to multilayer, the…

Conventional semiconductors typically have bonding states near the valence band maximum (VBM) and antibonding states near the conduction band minimum (CBM). Semiconductors with the opposite electronic configuration, namely an antibonding…

Materials Science · Physics 2025-03-21 Zeyu Xiang , Fanghao Zhang , Bolin Liao

We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…

Mesoscale and Nanoscale Physics · Physics 2014-09-19 V. Zolyomi , N. D. Drummond , V. I. Fal'ko

The presence of a direct band gap and an ultrathin form factor has caused a considerable interest in two-dimensional (2D) semiconductors from the transition metal dichalcogenides (TMD) family with molybdenum disulphide (MoS2) being the most…

Mesoscale and Nanoscale Physics · Physics 2014-09-24 Daria Krasnozhon , Dominik Lembke , Clemens Nyffeler , Yusuf Leblebici , Andras Kis

Because of their strong excitonic photoluminescence (PL) and electroluminescence (EL), together with an excellent electronic tunability, transition metal dichalcogenide (TMD) semiconductors are promising candidates for novel optoelectronic…

Mesoscale and Nanoscale Physics · Physics 2019-03-08 Lukas Dobusch , Simone Schuler , Vasili Perebeinos , Thomas Mueller

We present a comprehensive optical study of the narrow gap $FeSb_2$ semiconductor. From the optical reflectivity, measured from the far infrared up to the ultraviolet spectral range, we extract the complete absorption spectrum, represented…

Strongly Correlated Electrons · Physics 2012-01-11 A. Perucchi , L. Degiorgi , R. Hu , C. Petrovic , V. Mitrovi{ć}

To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…

Transition metal dichalcogenides (TMDs) are layered two-dimensional semiconductors explored for various optoelectronic applications, ranging from light-emitting diodes to single-photon emitters. To interact strongly with light, such devices…

Mesoscale and Nanoscale Physics · Physics 2024-07-15 Juri G. Crimmann , Moritz N. Junker , Yannik M. Glauser , Nolan Lassaline , Gabriel Nagamine , David J. Norris

Wide band gap semiconductors are essential for today's electronic devices and energy applications due to their high optical transparency, as well as controllable carrier concentration and electrical conductivity. There are many categories…