Related papers: Transferable tight binding model for strained grou…
We describe a semi-empirical atomic basis Extended H\"uckel Theoretical (EHT) technique that can be used to calculate bulk bandstructure, surface density of states, electronic transmission and interfacial chemistry of various materials…
The effective lattice models in strongly correlated electron systems are \emph{derived} in particular for the cuprate superconductors, that incorporate the quantum fluctuations of the spin Berry's phase and the antiferromagnetic…
The structural, elastic, and electronic properties of the very recently discovered ternary silicide superconductor, Li2IrSi3, have been calculated using ab-initio technique. We have carried out the plane-wave pseudopotential approach within…
Interfacial charge transfer (ICT) provides a powerful route to engineer electronic phases in correlated oxide heterostructures, yet predictive design principles remain elusive. Here, we systematically investigate superlattices composed of…
We obtain an effective parametrization of the bulk electronic structure of InP within the Tight Binding scheme. Using these parameters, we calculate the electronic structure of InP clusters with the size ranging upto 7.5 nm. The calculated…
Machine-learned multi-orbital tight-binding (MMTB) Hamiltonian models have been developed to describe the electronic characteristics of intermetallic compounds $\rm Mg_2Si, Mg_2Ge, Mg_2Sn$, and $\rm Mg_2Pb$ subject to strain. The MMTB…
Irreversible effects in thermoelectric materials limit their efficiency and economy for applications in power generation and refrigeration. While electron transport is unavoidably irreversible in bulk materials, here we derive conditions…
This paper explores the potential for spin-triplet superconductivity in molecular beam epitaxy grown PbTe/SnTe semiconductor heterostructures. We present convincing evidence for spin-triplet pairing by soft point-contact spectroscopy…
We study electronic properties of a superconducting topological insulator whose parent material is a topological insulator. We calculate the temperature dependence of the specific heat and spin susceptibility for four promising…
It is shown that, an entire class of off-diagonally disordered linear lattices composed of two basic building blocks and described within a tight binding model can be tailored to generate absolutely continuous energy bands. It can be…
We report results of a microscopic calculation of a second-order phase transition into a state breaking time-reversal and translational invariance along pair-breaking edges of $d$-wave superconductors. By solving a tight-binding model…
Most of the investigations to date on tight-binding, quantum percolation models focused on the quantum percolation threshold, i.e., the analogue to the Anderson transition. It appears to occur if roughly 30% of the hopping terms are…
We present observations of the insulator-superconductor transition in ultrathin films of Bi on solid xenon condensed on quartz and on Ge on quartz. The relative permeability $\epsilon_{r}$ ranges from 1.5 for Xe to 15 for Ge. Though we find…
This paper presents a finite-strain hyperviscoplastic constitutive model within a thermodynamically consistent framework for peat which was categorised as a material with both rate-dependent and thermodynamic equilibrium hysteresis based on…
We analyze the transparency of a thin film of low refractive index (an optical glue or a bonding layer) placed between higher-index media and forming an opto-pair. Examples include a semiconductor light-emitting diode with attached lens or…
Superconductivity in the Hubbard model is studied on a series of lattices in which dimers are coupled in various types of arrays. Using fluctuation exchange method and solving the linearized Eliashberg equation, the transition temperature…
Tuning the bandgap in ternary III-V semiconductors via modification of the composition or the strain in the material is a major approach for the design of optoelectronic materials. Experimental approaches screening a large range of possible…
Complex molecules and mesoscopic structures are naturally described by general networks of elementary building blocks and tight-binding is one of the simplest quantum model suitable for studying the physical properties arising from the…
Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…
We investigate the electronic structure of the ternary iron selenide K$_{y}$% Fe$_{1.6}$Se$_{2}$ by considering the spatial symmetry of the $\sqrt{5}% \times \sqrt{5}$ vacancy ordered structure. Based on three orbitals of $% t_{2g}$, which…