Related papers: Sn(II)-containing phosphates as optoelectronic mat…
Recently, heavily doped semiconductors are emerging as an alternate for low loss plasmonic materials. InN, belonging to the group III nitrides, possesses the unique property of surface electron accumulation (SEA) which provides two…
Layered and two-dimensional (2D) materials such as graphene, boron nitride, transition metal dichalcogenides(TMDCs), and black phosphorus (BP) have intriguing fundamental physical properties and bear promise of numerous important…
The hole doped Si(111)(2root3x2root3)R30(degrees)-Sn interface exhibits a symmetry-breaking insulator-insulator transition below 100 K that appears to be triggered by electron tunneling into the empty surface-state bands. No such transition…
Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…
Tin Sulphide (SnS) thin films have been recognized as a potential candidate for solar cells. Many fabrication techniques have been used to grow SnS thin films. The band-gap, ${\rm E_g}$ of SnS films as reported in literature, were found to…
A topological insulator possesses a bulk energy gap splitting the lowest empty band from the highest occupied electronic band. The electronic states at the surface (or edge in two dimensions), on the other hand, of a topological insulator…
Discovery of high-performance materials remains one of the most active areas in photovoltaics (PV) research. Indirect band gap materials form the largest part of the semiconductor chemical space, but predicting their suitability for PV…
Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…
ZnSnN2 is an Earth-abundant analog to the III-Nitrides with potential as a solar absorber due to its direct bandgap, steep absorption onset, and disorder-driven bandgap tunability. Despite these desirable properties, discrepancies in the…
Tin monochalcogendies SnS and SnSe, belonging to a familiy of van der Waals crystals isoelectronic to black phosphorus, are know as enivornmetally-friendly materials promisng for thermoelecric conversion applications. However, they exhibit…
IV-VI semiconductor SnSe has been known as the material with record high thermoelectric performance.The multiple close-to-degenerate valence bands in the electronic band structure has been one of the key factors contributing to the high…
The AM2Pn2 Zintl compounds are a large class of semiconductor materials that have a wide range of bandgaps and are mostly stable in the same crystal structure. Representative compounds BaCd2P2 and CaZn2P2 have recently been found to exhibit…
Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…
A swift chemical route to synthesize Co-doped SnO$_2$ nanopowders is described. Pure and highly stable Sn$_{1-x}$Co$_x$O$_{2-\delta}$ (0 $\le$ x $\le$ 0.15) crystalline nanoparticles were synthesized, with mean grain sizes < 5 nm and the…
First-principles calculations based on density functional theory have been carried out to understand the mechanism of fabricating As-doped p-type ZnO semiconductors. It has been confirmed that AsZn-2VZn complex is the most plausible…
We present temperature-dependent infrared spectroscopic studies of CaMnSb2, a proposed threedimensional topological material. The low plasma edge in the reflectivity spectrum and small Drude component in the optical conductivity indicate a…
Inelastic x-ray scattering (IXS) with very high (meV) energy resolution has become a valuable spectroscopic tool, complementing the well established coherent inelastic neutron scattering (INS) technique for phonon dispersion investigations.…
Searching for materials with single atom-thin as well as planar structure, like graphene and borophene, is one of the most attractive themes in two dimensional materials. Herein, using density functional theory calculations, we have…
Antimonide type II superlattices is expected to overtake HgCdTe as the preferred materials for infrared detection due to their excellent photoelectric properties and flexible and adjustable band structures. Among these compounds, InAs/GaSb…
2D MoS2 attracts increasing attention for its application in flexible electronics and photonic devices. For 2D material optoelectronic devices, light absorption of the molecularly thin 2D absorber would be one of the key limiting factors in…