Related papers: Strong bulk photovoltaic effect and second-harmoni…
With first principles calculations, we predict a novel stable 2D layered structure for group VI elements Se and Te that we call square selenene and square tellurene, respectively. They have chair-like buckled structures similar to other…
The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive…
Monolayer transition metal dichalcogenides (TMDs) exhibit high nonlinear optical (NLO) susceptibilities. Experiments on MoS$_2$ have indeed revealed very large second-order ($\chi^{(2)}$) and third-order ($\chi^{(3)}$) optical…
Interfacing topological insulators (TIs) with magnetic insulators (MIs) has been widely used to study the interaction between topological surface states and magnetism. Previous transport studies typically interpret the suppression of weak…
Indium selenide, In2Se3, has recently attracted growing interest due to its novel properties, including room temperature ferroelectricity, outstanding photoresponsivity, and exotic in-plane ferroelectricity, which open up new regimes for…
Because of their strong excitonic photoluminescence (PL) and electroluminescence (EL), together with an excellent electronic tunability, transition metal dichalcogenide (TMD) semiconductors are promising candidates for novel optoelectronic…
Integrating ferroelectricity, antiferromagnetism, and topological quantum transport within a single material is rare, but crucial for developing next-generation quantum devices. Here, we propose a multiferroic heterostructure consisting of…
Atomically thin, two-dimensional (2D) indium selenide (InSe) has attracted considerable attention due to large tunability in the band gap (from 1.4 to 2.6 eV) and high carrier mobility. The intriguingly high dependence of band gap on layer…
Tin-chalcogenides SnX (X = Te, Se and S) have been arousing research interest due to their thermoelectric physical properties. The two-dimensional (2D) counterparts, which are expected to enhance the property, nevertheless, have not been…
Graphene is known to exhibit a pronounced photo-thermoelectric effect (PTE) in its in-plane carrier transport and attracting attention toward various optoelectronic applications. In this study, we demonstrate an out-of-plane PTE by…
Realization of giant and continuously tunable second-order photocurrent is desired for many nonlinear optical (NLO) and optoelectronic applications, which remains to be a great challenge. Here, based on a simple two-band model, we propose a…
We present a combined experimental and theoretical study of enhanced third-harmonic generation (THG) in silicon nitride metasurfaces. These structures exhibit strong resonant nonlinear responses, enabling up to two orders of magnitude…
We report the structural, mechanical, electronic, optical, thermoelectric properties and spectroscopic limited maximum efficiency (SLME) of oxide double perovskite structure Ba2SbNbO6 and Ba2SbTaO6 compounds. All the investigations were…
Pb$_{0.77}$Sn$_{0.23}$Se is a novel alloy of two promising thermoelectric materials PbSe and SnSe that exhibits a temperature dependent band inversion below 300 K. Recent work has shown that this band inversion also coincides with a trivial…
We present thermoelectric properties of Be$_2$C monolayer based on density functional theory and semi-classical Boltzmann transport theory. Electronic structure calculations predict this material as a semiconductor with a direct bandgap of…
Two-dimensional (2D) materials with puckered layer morphology are promising candidates for next-generation opto-electronics devices owing to their anisotropic response to external perturbations and wide band gap tunability with the number…
Tensile strained bulk HgTe is a three-dimensional topological insulator. Because of the energetic position of its surface state Dirac points relative to its small bulk gap, the electronic properties of the relatively thin MBE-grown films…
For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e.g. exciton binding energies), defect…
Terahertz high harmonic generation (THz HHG) is a common property of nonlinear systems. Recently it has been used to investigate fundamental principles that govern transport and nonlinear dynamics in novel quantum materials like graphene,…
A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalcogenides possess high power factors, high lattice thermal…