Related papers: Quantum Size Effects in Pb/Si(111) Thin Films from…
We present a wide array of quantum measures on numerical solutions of 1D Bose- and Fermi-Hubbard Hamiltonians for finite-size systems with open boundary conditions. Finite size effects are highly relevant to ultracold quantum gases in…
Generally, there are two distinct effects in modifying the properties of low-dimensional nanostructures: surface effect (SS) due to increased surface-volume ratio and quantum size effect (QSE) due to quantum confinement in reduced…
Recently, Tao and Mo (TM) proposed an accurate all-purpose nonempirical meta-generalized gradient approximation (meta-GGA). The exchange part was derived from the density matrix approximation, while the correlation part is based on a…
The study of Finite Size Effects in Quantum Field Theory allows the extraction of precious perturbative and non-perturbative information. The use of scaling functions can connect the particle content (scattering theory formulation) of a QFT…
Very recently, first-principle technique of full-potential linearized augmented plane-wave method, by using for exchange-correlation potential the generalized gradient approximation (GGA), was employed for the study of the lead chalcogenide…
We present a study of the equilibrium properties of $sp$-bonded solids within the pseudopotential approach, employing recently proposed generalized gradient approximation (GGA) exchange correlation functionals. We analyze the effects of the…
Relying on generalized-gradient and hybrid first-principles simulations, this work provides a complete characterization of the electronic properties of ZnO ultra-thin films, cut along the Body-Centered-Tetragonal(010), Cubane(100),…
In this work, employing spin-pumping techniques driven by both ferromagnetic resonance (SP-FMR) and longitudinal spin Seebeck effect (LSSE) to manipulate and direct observe orbital currents, we investigated the volume conversion of…
The effect of random surface roughness on quantum size effect in thin films is discussed. The conductivity of quantized metal films is analyzed for different types of experimentally identified correlation functions of surface…
The quantum efficiencies (QE) of photocathodes consisting of bulk Nb substrates coated with thin films of Cs2Te are reported. Using the standard recipe for Cs2Te deposition developed for Mo substrates (220 {\AA} Te thickness), a QE ~11% -…
We use an efficient projection scheme for the Fock operator to analyze the size dependence of silicon quantum dots (QDs) electronic properties. We compare the behavior of hybrid, screened hybrid and local density functionals as a function…
We perform systematic density functional theory (DFT) calculations to assess the performance of various exchange-correlation potentials $V_{xc}$ in describing the chalcogenide GaM$_4$Q$_8$ lacunar spinels (M=Mo, V, Nb, Ta; Q=S, Se). We…
The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers…
We report on unique electronic properties in Fe-SiO2 nanocomposite thin films in the vicinity of the percolation threshold. The electronic transport is dominated by quantum corrections to the metallic conduction of the Infinite Cluster…
Chemical substitution in crystalline quantum materials is a powerful way to explore the consequences of strong spin-orbit coupling on their structural and electronic properties. In this work, we present an investigation of thin films of the…
The effect of coupling of quantized modes on transport and localization in ultrathin films with quantum size effect (QSE) is discussed. The emphasis is on comparison of films with Gaussian, exponential, and power-law long-range behavior of…
The band gaps and spectral shifts of CdS, CdSe, CdTe, AlP, GaP, GaAs, and InP semiconductor clusters are calculated from band structure calculations using accurate local and non-local empirical pseudopotentials. The effect of spin-orbit…
We explore the growth of {\alpha}-Ta thin films ranging from ultra-thin (2 nm) to thick (250 nm) films grown by sputter epitaxy on c-plane sapphire substrates. We utilized 100 W power with a 32 mTorr sputter pressure at 650 {\deg} substrate…
Strained Ge ($\epsilon$-Ge) and strained Si ($\epsilon$-Si) buried quantum wells have enabled advanced spin-qubit quantum processors. However, in the absence of suitable lattice-matched substrates, $\epsilon$-Ge and $\epsilon$-Si are…
We investigate the origin of spin-orbit torques (SOTs) in archetypical Pt/Co/MgO thin films structures by performing harmonic Hall measurements. The behaviour of the damping like (DL) effective field ($h_{DL}$) with varying the Pt layer…