Related papers: Gaussian Expansion Method for few-body states in t…
First-principle calculations with different exchange-correlation functionals, including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been performed to investigate the electronic and elastic properties of two dimensional…
We study theoretically the Coulomb interaction between excitons in transition metal dichalcogenide (TMD) monolayers. We calculate direct and exchange interaction for both ground and excited states of excitons. The screening of the Coulomb…
Monolayer phosphorene provides a unique two-dimensional (2D) platform to investigate the fundamental dynamics of excitons and trions (charged excitons) in reduced dimensions. However, owing to its high instability, unambiguous…
With Gaussian expansion method (GEM), realistic wave functions are used to calculate coupled-channel effects for the bottomonium under the framework of ${}^3P_0$ model. The simplicity and accuracy of GEM are explained. We calculate the mass…
We propose a straightforward and highly accurate method for extracting material parameters such as screening length, bandgap energy, exciton reduced mass, and the dielectric constant of the surrounding medium from experimental…
Low-dimensional transition metal dichalcogenides (TMDC) exhibit great photocatalytic performance and tunability. In this work, using first-principles simulations based on density functional theory (DFT), we demonstrate that external…
Trions are a three-particle bound state of electrons and holes. Experimental realization of a trion liquid in the degenerate quantum limit would open a wide range of phenomena in quantum many-body physics. However, trions have been observed…
Structural, electronic, and chemical nanoscale modifications of transition metal dichalcogenide monolayers alter their optical properties, including the generation of single photon emitters. A key missing element for complete control is a…
First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…
We present a Semiempirical Pseudopotential Method for accurately computing the band structures and Bloch states of monolayer transition-metal dichalcogenides (TMDCs), including MoS2, MoSe2, WS2, and WSe2. Our approach combines local and…
Two-dimensional (2D) transition metal dichalcogenides (TMDC) and their moir\'e interfaces have been demonstrated for correlated electron states, including Mott insulators and electron/hole crystals commensurate with moir\'e superlattices.…
We present a many-body theory for exciton-trion-polaritons in doped two-dimensional materials. Exciton-trion-polaritons are robust coherent hybrid excitations involving excitons, trions, and photons. Signatures of these polaritons have been…
Assuming a logarithmic interaction between constituent particles, compact and locally accurate wave functions that describe bound states of the two-particle neutral and three-particle charged complexes in two dimensions are designed. Prime…
Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasi-particle gap…
The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired…
Strong Coulomb interaction in atomically-thin transition metal dichalcogenides makes these systems particularly promising for studies of excitonic physics. Of special interest are the manifestations of the charged excitons, also known as…
Optical and electrical properties of two-dimensional transition metal dichalcogenides (TMDCs) grown by chemical vapor deposition (CVD) are strongly determined by their microstructure. Consequently, the visualization of spatial structural…
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)…
Monolayer transition metal dichalcogenide (TMDC) semiconductors exhibit strong excitonic optical resonances which serve as a microscopic, non-invasive probe into their fundamental properties. Like the hydrogen atom, such excitons can…
Over the past few decades, thin film optoelectronic devices based on transition metal dichalcogenides (TMDs) have made significant progress. However, the sensitivity of the exciton states to environmental change presents challenges for…