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Interest in the application of thermoelectric devices for renewable energy has risen over the past decade. In this paper, we calculate the transport properties of various configurations of the transition metal dichalcogenide (TMD) MSe$_2$…

Materials Science · Physics 2020-02-26 Jonathan Tseng , Xuan Luo

Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…

Mesoscale and Nanoscale Physics · Physics 2025-09-30 Anagha Gopinath , Faiha Mujeeb , Subhabrata Dhar , Jyoti Mohanty

The exciton states of strained CdTe/CdS core-shell tetrapod-shaped nanocrystals were theoretically investigated by the numerical diagonalization of a configuration interaction Hamiltonian based on the single-band effective mass…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Yuanzhao Yao , Takashi Kuroda , Dmitry N. Dirin , Maria S. Sokolikova , Roman B. Vasiliev

Two-dimensional (2D) semiconductors are widely recognized as attractive channel materials for low-power electronics. However, an unresolved challenge is the integration of high-quality, ultrathin high-\k{appa} dielectrics that fully meet…

Mechanical strain is a powerful tuning knob for excitons, Coulomb-bound electron-hole complexes dominating optical properties of two-dimensional semiconductors. While the strain response of bright free excitons is broadly understood, the…

Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron…

We investigate the effects of the in-plane biaxial strain and charge doping on the charge density wave (CDW) order of monolayer $1T$-TiSe$_2$ by using the first-principles calculations. Our results show that the tensile strain can…

Materials Science · Physics 2017-10-11 M. J. Wei , W. J. Lu , R. C. Xiao , H. Y. Lv , P. Tong , W. H. Song , Y. P. Sun

Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures…

Strain is ubiquitous in solid-state materials, but despite its fundamental importance and technological relevance, leveraging externally applied strain to gain control over material properties is still in its infancy. In particular, strain…

Using full potential density functional calculations within local density approximation (LDA), we found strain tunable band gaps of two-dimensional (2D) hexagonal BN (h-BN) and AlN (h-AlN) by application of in-plane homogeneous biaxial…

Materials Science · Physics 2012-06-15 Harihar Behera , Gautam Mukhopadhyay

An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based optoelectronic…

Mesoscale and Nanoscale Physics · Physics 2019-01-04 Sanjay Prabhakar , Roderick Melnik

Single layers of transition metal dichalcogenides, such as WSe$_2$ have gathered increasing attention due to their intense electron-hole interactions, being considered promising candidates for developing novel optical applications. Within…

Materials Science · Physics 2023-07-12 Fabio J. R. Costa , Thiago G-L. Brito , Ingrid D. Barcelos , Luiz Fernando Zagonel

Monolayers of transition metal dichalcogenides (TMDs) have a remarkable excitonic landscape with deeply bound bright and dark exciton states. Their properties are strongly affected by lattice distortions that can be created in a controlled…

Nanoplasmonic systems combined with optically-active two-dimensional materials provide intriguing opportunities to explore and control light-matter interactions at extreme sub-wavelength lengthscales approaching the exciton Bohr radius.…

Monolayers of transition metal dichalcogenides (TMdC) are promising candidates for realization of a new generation of optoelectronic devices. The optical properties of these two-dimensional materials, however, vary from flake to flake, or…

Materials Science · Physics 2020-01-22 Pavel V. Kolesnichenko , Qianhui Zhang , Changxi Zheng , Michael S. Fuhrer , Jeffrey A. Davis

Monolayers of transition metal dichalcogenides (TMDCs) have emerged as new optoelectronic materials in the two dimensional (2D) limit, exhibiting rich spin-valley interplays, tunable excitonic effects, and strong light-matter interactions.…

Strain plays a critical role in the properties of materials. In silicon and silicon-germanium, strain provides a mechanism for control of both carrier mobility and band offsets. In materials integra-tion, strain is typically tuned through…

We demonstrate the continuous tuning of the electronic structure of atomically thin MoS2 on flexible substrates by applying a uniaxial tensile strain. A redshift at a rate of ~70 meV per percent applied strain for direct gap transitions,…

Mesoscale and Nanoscale Physics · Physics 2013-06-24 Keliang He , Charles Poole , Kin Fai Mak , Jie Shan

We demonstrate the continuous and reversible tuning of the optical band gap of suspended monolayer MoS2 membranes by as much as 500 meV by applying very large biaxial strains. By using chemical vapor deposition (CVD) to grow crystals that…

The optical response of traditional semiconductors depends on the laser excitation power used in experiments. For two-dimensional (2D) semiconductors, laser excitation effects are anticipated to be vastly different due to complexity added…

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