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Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are…

Two-dimensional (2D) in-plane heterostructures including compositionally graded alloys and lateral heterostructures with defined interfaces display rich optoelectronic properties and offer versatile platforms to explore one-dimensional…

Materials Science · Physics 2025-11-14 Maninder Kaur , Nicolas T. Sandino , Jason P. Terry , Mahdi Ghafariasl , Yohannes Abate

The dielectric effects of a substrate have been shown to be important in modulating the electronic properties of an adsorbate, especially in van der Waals heterostructures. Here, using the first-principles dielectric embedding $GW$ approach…

Materials Science · Physics 2023-05-05 Olugbenga Adeniran , Zhen-Fei Liu

Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…

Monolayer transition-metal dichalcogenide (TMD) semiconductors exhibit strong excitonic effects and hold promise for optical and optoelectronic applications. Yet, electron doping of TMDs leads to the conversion of neutral excitons into…

We demonstrate how hybridization between a two-dimensional material and its substrate can lead to an apparent heavy doping, using the example of monolayer TaS$_2$ grown on Au(111). Combining $\textit{ab-initio}$ calculations, scanning…

Two-dimensional materials offer exceptional tunability of electronic and optical properties via strain and doping engineering. However, the unintentional introduction of polymeric residues during wet chemical 2D film transfer processes such…

The optical and electronic properties of 2D semiconductors are intrinsically linked via the strong interactions between optically excited bound species and free carriers. Here we use near-field scanning microwave microscopy (SMM) to image…

The new generation of two-dimensional (2D) materials has shown a broad range of applications for optical and electronic devices. Understanding the properties of these materials when integrated with the more traditional three-dimensional…

Based on the Bethe-Salpeter equation eigenstates, we present a first-principles many-body formalism for calculating the two-photon absorption (TPA) coefficient of semiconductors. We apply this formalism to calculate the TPA spectra of MoS2…

Materials Science · Physics 2020-06-02 You-Zhao Lan , Xiao-Hu Bao

We have developed a simple and straightforward way to realize controlled post-doping towards 2D transition metal dichalcogenides (TMDs). The key idea is to use low-kinetic energy dopant beams and a high-flux chalcogen beam at the same time,…

We present a systematic study of the variables affecting the electronic and optical properties of two-dimensional(2D) crystals within \textit{ab initio} GW and GW plus Bethe Salpeter Equation (GW-BSE) calculations. As a prototypical 2D…

Materials Science · Physics 2016-07-20 Diana Y. Qiu , Felipe H. da Jornada , Steven G. Louie

Light emission in atomically thin heterostructures is known to depend on the type of materials, number and stacking sequence of the constituent layers. Here we show that the thickness of a two-dimensional substrate can be crucial in…

Optical spectra of two-dimensional transition-metal dichalcogenides (TMDC) are influenced by complex multi-particle excitonic states. Their theoretical analysis requires solving the many-body problem, which in most cases, is prohibitively…

Two-dimensional (2D) compounds provide unique building blocks for novel layered devices and hybrid photonic structures. However, large surface-to-volume ratio in thin films enhances the significance of surface interactions and charging…

We investigate near-field energy transfer between chemically synthesized quantum dots (QDs) and two-dimensional semiconductors. We fabricate devices in which electrostatically gated semiconducting monolayer molybdenum disulfide (MoS2) is…

In this article, we use a many-body approach to study the absorption spectra of electron-doped two-dimensional semiconductors. Optical absorption is modeled by a many-body scattering Hamiltonian which describes an exciton immersed in a…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Yao-Wen Chang , David R. Reichman

To understand the mechanism of Mott transitions in case of no magnetic influence, superfluid-insulator (Mott) transitions in the S=0 Bose Hubbard model at unit filling are studied on the square and triangular lattices, using a variational…

Strongly Correlated Electrons · Physics 2015-03-19 Hisatoshi Yokoyama , Tomoaki Miyagawa , Masao Ogata

The integration of two-dimensional transition metal dichalcogenide crystals (TMDCs) into a dielectric environment is critical for optoelectronic and photonic device applications. Here, we investigate the effects of direct deposition of…

Despite 2D materials holding great promise for a broad range of applications, the proliferation of devices and their fulfillment of real-life demands are still far from being realized. Experimentally obtainable samples commonly experience a…

Mesoscale and Nanoscale Physics · Physics 2021-01-07 Pavel V. Kolesnichenko , Qianhui Zhang , Changxi Zheng , Michael S. Fuhrer , Jeffrey A. Davis