相关论文: Environmentally-Sensitive Theory of Electronic and…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
We present first-principles many-body perturbation theory calculations of the quasiparticle electronic structure and of the optical response of HfO$_2$ polymorphs. We use the $GW$ approximation including core electrons by the projector…
By combining band gap engineering with the self-organized growth of quantum dots, we present a scheme of adjusting the mid-infrared absorption properties to desired energy transitions in quantum dot based photodetectors. Embedding the self…
It has been recently claimed that bulk crystals of transition metal dichalcogenide (TMD) ReS$_2$ are direct band gap semiconductors, which would make this material an ideal candidate, among all TMDs, for the realization of efficient…
Recently the renormalization of the band gap $m$, in both WSe$_2$ and MoS$_2$, has been experimentally measured as a function of the carrier concentration $n$. The main result establishes a decreasing of hundreds of meV, in comparison with…
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…
A consistent and widely accepted physical basis for interpretation of charge transport in amorphous oxide semiconductor (AOS) field-effect transistors (FETs), and more generally device physics, has been hampered by uncertainties in…
Predicting phenomena that mix few-photon quantum optics with strong field nonlinear optics is hindered by the use of separate theoretical formalisms for each regime. We close this gap with a unified effective field theory valid for…
We study optical spectra of finite electronic quantum systems at frequencies smaller than the plasma frequency using a quasi-classical approach. This approach includes collective effects and enables us to analyze how the nature of the…
We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…
Recently emerging large-area single-layer MoS2 grown by chemical vapor deposition has triggered great interest due to its exciting potential for applications in advanced electronic and optoelectronic devices. Unlike gapless graphene, MoS2…
We present an InAs-GaSb-based system in which the electric-field tunability of its 2D energy gap implies a transition towards a thermodynamically stable excitonic condensed phase. Detailed calculations show a 3 meV BCS-like gap appearing in…
The optical response functions and band structures of LiCoO$_2$ are studied at different levels of approximation, from density functional theory (DFT) in the generalized gradient approximation (GGA) to quasiparticle self-consistent QS$GW$…
Two-dimensional (2D) transition metal dichalcogenides (TMDs) exhibit novel electrical and optical properties and are emerging as a new platform for exploring 2D semiconductor physics. Reduced screening in 2D results in dramatically enhanced…
The quasiparticle (QP) band structures of both strainless and strained monolayer MoS$_{2}$ are investigated using more accurate many body perturbation \emph{GW} theory and maximally localized Wannier functions (MLWFs) approach. By solving…
We compute the phase diagram of the one-dimensional Bose-Hubbard model with a quasi-periodic potential by means of the density-matrix renormalization group technique. This model describes the physics of cold atoms loaded in an optical…
A study is presented of the electronic band structure and optical absorption spectrum of monolayer WSe$_2$ using an all-electron quasiparticle self-consistent $GW$ approach, QS$G\hat W$, in which the screened Coulomb interaction $\hat W$ is…
The scaling of active photonic devices to deep-submicron length-scales has been hampered by the fundamental diffraction limit and the absence of materials with sufficiently strong electro-optic effects. Here, we demonstrate a solid state…
The shift of energy levels owing to broadband electromagnetic vacuum fluctuations, the Lamb shift, has been pivotal in the development of quantum electrodynamics and in understanding atomic spectra. Currently, small energy shifts in…
Metallic behavior of band-insulator/ Mott-insulator interfaces was observed in artificial perovskite superlattices such as in nanoscale SrTiO3/LaTiO3 multilayers. Applying a semiclassical perspective to the parallel electronic transport we…