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The quantum geometric structure of electrons introduces fundamental insights into understanding quantum effects in materials. One notable manifestation is the non-linear Hall effect (NLHE), which has drawn considerable interest for its…
We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP$_2$ and C$_2$SiS. Using $ab$ $initio$ density functional theory, we have identified four stable allotropes of each ternary…
Organic semiconductors tend to self-assemble into highly ordered and oriented morphologies with anisotropic optical properties. Studying these optical anisotropies provides insight into processing-dependent structural properties and informs…
We put forward a generalized procedure which allows to restore the bulk-like electron and hole wave functions localized in certain valleys from the wave functions of quantum confined electron/hole states obtained in atomistic calculations…
The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…
Two-dimensional (2D) layered materials with diverse properties have attracted significant interest in the past decade. The layered materials discovered so far have covered a wide, yet discontinuous electromagnetic spectral range from…
Two-dimensional materials supporting deep-subwavelength plasmonic modes can also exhibit strong magneto-optical responses. Here, we theoretically investigate magnetoplasmons (MPs) in monolayer black phosphorus (BP) structures under moderate…
Semiconductor quantum dots have emerged as promising candidates for implementation of quantum information processing since they allow for a quantum interface between stationary spin qubits and propagating single photons. In the meanwhile,…
Following the discovery of the Kondo effect the bulk transport and magnetic behavior of the dilute magnetic alloys have been successfully described. In the last fifteen years new directions have been developed as the study of the systems of…
Atomic-scale disorder can create hidden optical anisotropy even in crystals that are structurally cubic on average. Here, we show that CuInSnS$_4$ single crystals host locally symmetry-broken environments arising from intrinsic In/Sn cation…
Negative compressibility generated by many-body effects in 2D electronic systems can enhance gate capacitance. We observe capacitance enhancement in a newly emerged 2D layered material, atomically thin black phosphorus (BP). The…
Artificial semiconductor heterostructures played a pivotal role in modern electronic and photonic technologies, providing a highly effective mean for the manipulation and control of carriers, from the visible to the far-infrared. Despite…
Black phosphorus (BP) has emerged as a promising material candidate for next generation electronic and optoelectronic devices due to its high mobility, tunable band gap and highly anisotropic properties. In this work, polarization resolved…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…
We investigate the effect of surface anisotropy in a spherical many-spin magnetic nanoparticle. By computing minor loops, two-dimensional (2D) and 3D energyscape, and by investigating the behavior of the net magnetization, we show that in…
Black phosphorus (BP) is a layered material with anisotropic properties. We study interfaces formed by a pentacene monolayer adsorbed on monolayer BP, a prototypical system for BP surface passivation. We place the pentacene monolayer along…
Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
Optically anisotropic materials are sought after for tailoring the polarization of light. Recently, colossal optical anisotropy was reported in a quasi-one-dimensional chalcogenide, Sr1.125TiS3. Compared to SrTiS3, the excess Sr in…
Low-dimensional media have exhibited optical anisotropy that is unachievable in traditional 3D media due to the asymmetry of their strong, in-plane covalent bonds and weak out-of-plane van der Waals interactions. As a result, 2D media are…