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In the case of heavy-to-light weak meson transitions, a Quark Model derivation leads to very general relations between the form factors that parametrize the hadronic matrix elements. We investigate to what extent these form factor relations…
The honeycomb lattice sets the basic arena for numerous ideas to implement electronic, photonic, or phononic topological bands in (meta-)materials. Novel opportunities to manipulate Dirac electrons in graphene through band engineering arise…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
Plasma-surface interactions during AlN thin film sputter deposition could be studied by means of reactive molecular dynamics (RMD) methods. This requires an interaction potential that describes all species as well as wall interactions…
We consider heterostructures obtained by stacking layers of two s-wave superconductors with significantly different coupling strengths, respectively in the weak- and strong-coupling regimes. The weak- and strong-coupling superconductors are…
We address the low-energy effective Hamiltonian of electron doped d0 perovskite semiconductors in cubic and tetragonal phases using the k*p method. The Hamiltonian depends on the spin-orbit interaction strength, on the temperature-dependent…
First principles calculations based on density functional theory are performed to investigate the structural, electronic and magnetic properties of wurtzite ZnO/NiO (0001) interface. By using DFT+U method we discover that the half-metallic…
High-transmissivity all-dielectric metasurfaces have recently attracted attention towards the realization of ultra-compact optical devices and systems. Silicon based metasurfaces, in particular, are highly promising considering the…
In this work, a microscopic effective nucleon-nucleon interaction based on the Dirac-Brueckner-Hartree-Fock $G$ matrix starting from a bare nucleon-nucleon interaction is used to explore the $\alpha$-decay half-lives of the nuclei near…
We study the dielectric function of the homogeneous hole gas in p-doped zinc-blende III-V bulk semiconductors within random phase approximation with the valence band being modeled by Luttinger's Hamiltonian in the spherical approximation.…
Solar cells based on a light absorbing layer of the organometal halide perovskite CH$_3$NH$_3$PbI$_3$ have recently reached 15% conversion efficiency, though how these materials work remains largely unknown. We analyse the electronic…
Proximity effect is used to generate effective topological superconductor by placing strong spin orbit interacting metals with superconducting materials, aiming to produce Majorana zero modes useful for topologically protected quantum…
Thermodynamics coupled with quantum features on electron and hole dynamics in Dirac materials is quite interesting and crucial for real device applications. The correlation between the formation of electron-hole puddles in nearer to the…
A wide range of materials like graphene, topological insulators and transition metal dichalcogenides (TMDs) share an interesting property: the low energy excitations behave as Dirac particles. This emergent behavior of Dirac quasiparticles…
The modified Becke-Johnson meta-GGA potential of density functional theory has been shown to be the best exchange-correlation potential to determine band gaps of crystalline solids. However, it cannot be consistently used for the electronic…
Semiconductor heterostructures with prescribed energy dependence of the transmittance can be designed by combining: {\em a)} Pad\'e approximant reconstruction of the S-matrix; {\em b)} inverse scattering theory for Schro\"dinger's equation;…
We study the electronic states of graphene in piecewise constant potentials using the continuum Dirac equation appropriate at low energies, and a transfer matrix method. For superlattice potentials, we identify patterns of induced Dirac…
To investigate the physical characteristics of the half-Heusler BaHgSn molecule, we used theoretical calculations within the Density Functional Theory (DFT) framework utilizing the LSDA+mBJ technique in this study. Using the optimal lattice…
We calculate the lattice thermal conductivity ($\kappa$) for cubic (zinc-blende) and hexagonal (wurtzite) phases for 8 semiconductors using $\textit{ab initio}$ calculations and solving the Phonon Boltzmann Transport Equation, explaining…
The introduction of superconductivity to the Dirac surface states of a topological insulator leads to a topological superconductor, which may support topological quantum computing through Majorana zero modes. The development of a scalable…