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Lead-free tin-based halide perovskites are attractive for flexible and environmentally benign optoelectronics, but their application is limited by the rapid oxidation of Sn2+ to Sn4+ and poor operational stability. Here, we report a…
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…
SnTaS2 is a recently discovered layered semimetal exhibiting type-II low transition temperature superconductivity. Except some superconductivity related parameters, most of the physical properties, namely, elastic, mechanical, bonding,…
The topological Weyl semimetal CaSn3, belonging to the AuCu3 type cubic structure, is an important electronic system to investigate both from the point of view of fundamental physics and prospective applications. In this work, we have…
Driven by interactions due to the charge, spin, orbital, and lattice degrees of freedom, nanoscale inhomogeneity has emerged as a new theme for materials with novel properties near multiphase boundaries. As vividly demonstrated in complex…
Interfaces between exfoliated topological insulator Bi2Se3 and several transition metals deposited by sputtering were studied by XPS, SIMS, UPS and contact I-V measurements. Chemically clean interfaces can be achieved when coating Bi2Se3…
PbTaSe2 is a non-centrosymmetric topological semimetal. In this work we have explored the structural, elastic, mechanical, bonding, electronic, acoustic, thermal, and optical properties of PbTaSe2. The electronic bond structure calculations…
Since the discovery of topological insulators (TI), there are considerable interests in demonstrating metallic surface states, their shielded robust nature to the backscattering and study their properties at nanoscale dimensions by…
The electronic structure of the transparent semiconductor In2O3 has been studied by angle resolved photoemission spectroscopy upon deposition of metallic indium and also tin on the surface of the semiconductor. By deposition of metallic…
This paper reports the first gas sensor based on the plastic inorganic semiconductor GaPS4, pioneering the application of plastic inorganic semiconductors in the field of gas sensing. Unlike traditional rigid sensors, this device leverages…
Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands…
As one of the most important n-type thermoelectric (TE) materials, Bi2Te3 has been studied for decades, with efforts to enhance the thermoelectric performance based on element doping, band engineering, etc. In this study, we report a novel…
Pressure induced electronic topological transitions in the wide band gap semiconductor Sb2S3 (Eg = 1.7-1.8 eV) with similar crystal symmetry (SG: Pnma) to its illustrious analog, Sb2Se3, has been studied using Raman spectroscopy,…
Binary metallic phosphide, Nb2P5, belongs to technologically important class of materials. Quite surprisingly, a large number of physical properties of Nb2P5, including elastic properties and their anisotropy, acoustic, electronic (DOS,…
Interfacial superconductivity (IS) has been a topic of intense interest in the condensed matter physics, due to its unique properties and exotic photoelectrical performance. However, there are few reports about IS systems consisting of two…
Mechanical properties of transition metal dichalcogenides (TMDCs) are relevant to their prospective applications in flexible electronics. So far, the focus has been on the semiconducting TMDCs, mostly MoX2 and WX2 (X=S, Se) due to their…
We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds using the density functional theory within the local density approximation. The lattice…
The elastic, electronic and optical properties of MNNi3 (M= Zn, Sn and Cu) have been calculated using the plane-wave ultrasoft pseudopotential technique which is based on the first-principles density functional theory (DFT) with generalized…
We report the discovery of two-dimensional electron gas (2DEG) at the surface of thermoelectric material In$_4$Se$_3$ by angle-resolved photoemission spectroscopy. The observed 2DEG exhibits a nearly isotropic band dispersion with a…
Density functional calculations are carried out to study the symmetry and substitution-driven electronic phase transition in BaPb$_{1-x}$Sn$_x$O$_3$. Two end members BaSnO$_3$ and BaPbO$_3$, are found to be insulating and metallic,…