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Transition metal dichalcogenides (TMDs) are emerging as promising two-dimensional (2d) semiconductors for optoelectronic and flexible devices. However, a microscopic explanation of their photophysics -- of pivotal importance for the…

Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et…

Materials Science · Physics 2023-06-16 Santosh Neupane , Hong Tang , Adrienn Ruzsinszky

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently been shown to demonstrate non-volatile resistive switching (NVRS), offering significant advantages such as high-density integration and low energy consumption due to…

Materials Science · Physics 2025-07-29 Brian H. Lee , Jameela Fatheema , Deji Akinwande , Wennie Wang

Transition metal dichalcogenides (TMDs) are a class of two-dimensional (2D) materials been widely studied for emerging electronic properties. In this work, we use computational simulations to examine the water adsorption on TMDs…

Computational Physics · Physics 2024-02-20 Siheng Li , Keyang Liu , Jiří Klimeš , Ji Chen

Two-dimensional (2D) crystals of semiconducting transition metal dichalcogenides (TMD) absorb a large fraction of incident photons in the visible frequencies despite being atomically thin. It has been suggested that the strong absorption is…

Beyond-diffraction-limit optical absorption spectroscopy provides profound information on the graded band structures of composition-spread and stacked two-dimensional materials, in which direct/indirect bandgap, interlayer coupling,…

The 2D HgTe quantum well is analyzed based on the assumption that the width fluctuations convert the system to a random mixture of domains with positive and negative energy gaps. The borders between ordinary and topological insulator phases…

Mesoscale and Nanoscale Physics · Physics 2019-02-20 M. M. Mahmoodian , M. V. Entin

We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…

Materials Science · Physics 2013-11-06 A. Carvalho , R. M. Ribeiro , A. H. Castro Neto

The optical response of two-dimensional (2D) materials has been customarily calculated ab initio using plane waves and without separating the most important orbitals contributions. In the family of transition metal dichalcogenides (TMDC)…

Mesoscale and Nanoscale Physics · Physics 2025-12-30 Angiolo Huamán

The optical properties of transition metal dichalcogenides have previously been modified at the nanoscale by using mechanical and electrical nanostructuring. However, a clear experimental picture relating the local electronic structure with…

Using the Tight Binding (TB) parameters extracted from Density Functional Theory (DFT) and Recursive Green's Function method, it is shown that skewed-zigzag black phosphorous (phosphorene) nanoribbons obtain large and tuneable bandgap in…

Mesoscale and Nanoscale Physics · Physics 2019-01-16 Sima Shekarforoush , Farhad Khoeini , Daryoush Shiri

Through systematic experimental and theoretical studies of layer-thickness-dependent absorption in semiconducting MoSe$_2$ and WS$_2$ across the visible to near-infrared spectral range, we demonstrate a universal absorption behavior in…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 Bhumika Chauhan , Nikhil Singh , Subhrajit Dalai , Abhisek Saidarsan , Sayantan Patra , Sourabh Jain , Aparna Deshpande , Ashish Arora

Rich valleytronics and diverse defect-induced or interlayer pre-bandgap excitonics have been extensively studied in transition metal dichalcogenides (TMDCs), a system with fascinating optical physics. However, more intense high-energy…

Materials Science · Physics 2021-04-02 Jinhua Hong , Masanori Koshino , Ryosuke Senga , Thomas Pichler , Hua Xu , Kazu Suenaga

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Materials Science · Physics 2025-08-15 A. F. Gómez-Bastidas , Karthik Sriram , A. C. Garcia-Castro , Oleg Rubel

In this technical review we give an introduction to optical spectroscopy for layered materials as a powerful, non-invasive tool to access details of the electronic band structure and crystal quality. Potential applications in photonics and…

Materials Science · Physics 2020-12-18 Shivangi Shree , Ioannis Paradisanos , Xavier Marie , Cedric Robert , Bernhard Urbaszek

The coupling of light to electrical charge carriers in semiconductors is the foundation of many technological applications. Attosecond transient absorption spectroscopy measures simultaneously how excited electrons and the vacancies they…

Materials Science · Physics 2023-05-03 Z. Schumacher , S. A. Sato , S. Neb , A. Niedermayr , L. Gallmann , A. Rubio , U. Keller

We calculate the binding energy, transition energies, oscillator strength, and absorption coefficient of indirect excitons in transition metal dichalcogenide (TMDC) double layers separated by an integer number of hexagonal boron nitride…

Mesoscale and Nanoscale Physics · Physics 2018-09-19 Matthew N. Brunetti , Oleg L. Berman , Roman Ya. Kezerashvili

The coupling of atomic vibrations to electronic excitations - traditionally understood to be a source of energy loss in semiconductors - has recently been explored in photosynthetic light harvesting as a means to circumvent dissipation by…

Materials Science · Physics 2026-02-04 Yifan Liu , Robert Dawson , Nathaniel Gabor , Vivek Aji

Transition metal dichalcogenides (TMDs) attract significant attention due to their exceptional optical, excitonic, mechanical, and electronic properties. Nanostructured multilayer TMDs were recently shown to be highly promising for…

We explore the physical properties of a unified microscopic theory for the coexistence of superconductivity and charge density waves in two-dimensional transition metal dichalcogenides. In the case of particle-hole symmetry the elementary…

Superconductivity · Physics 2009-11-10 B. Uchoa , G. G. Cabrera , A. H. Castro Neto
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