相关论文: Sb concentration dependent Structural and Transpor…
A coarse-grained molecular dynamics model of linear polyethylene-like polymer chain system was built to investigate the responds of structure and mechanical properties during uniaxial deformation. The influence of chain length, temperature,…
Piezoelectric and ferroelectric ceramics with a high Curie temperature (Tc) have attracted a growing attention owning to their applications under severe environments. In this work, phase structure, dielectric, ferroelectric and…
Pure Topological Insulating materials preserve a unique electronic state comprising of bulk insulating gap and conducting surface states. Here we use bulk Bi2Se3 single crystals possessing Se vacancy defects as a prototype topological…
Single crystals of intermetallic Re$_3$Ge$_7$ were grown and characterized by measuring magnetization, electrical resistivity, Hall coefficient, and specific heat. Magnetization measurements show the material is weakly diamagnetic. A phase…
Both Nb$_3$Pd$_x$Se$_7$ and Ta$_4$Pd$_3$Te$_{16}$ crystallize in a monoclinic point group while exhibiting superconducting transition temperatures as high as $T_c\sim 3.5$ and $\sim 4.7 $ K, respectively. Disorder was claimed to lead to the…
Pressure-induced superconductivity and its relation to corresponding Hall coefficient (RH) have been reported for Bi2Te3, one of known topological insulators. A full phase diagram is presented which shows a complex dependence of the…
Temperature-dependent synchrotron powder diffraction on Cs0.83(Fe0.86Se)2 revealed first order I4/m to I4/mmm structural transformation around 216{\deg}C associated with the disorder of the Fe vacancies. Irreversibility observed during the…
We present an ab initio study of the structural and electronic transport properties of tetrahedrite, Cu$_{12}$Sb$_4$S$_{13}$, in its high-temperature phase. We show how this complex compound can be seen as the outcome of an ordered…
We performed X-ray diffraction and electrical resistivity measurement up to pressures of 5 GPa and the first-principles calculations utilizing experimental structural parameters to investigate the pressure-induced topological phase…
We present a detailed study of thermal and electrical transport behavior of single crystal Titanium disulphide flakes, which belongs to the two dimensional, transition metal dichalcogenide class of materials. In-plane Seebeck effect…
Using molecular dynamics simulation we examine changeovers among crystal, glass, and liquid at high density in a two dimensional binary mixture. We change the ratio between the diameters of the two components and the temperature. The…
Bi2Te3 is a member of a new class of materials known as topological insulators which are supposed to be insulating in the bulk and conducting on the surface. However experimental verification of the surface states has been difficult in…
Lead chalcogenides are the promising thermoelectric (TE) materials having narrow band gap. The present work investigates the TE behaviour of PbSe in the temperature range 300-500 K. The transport properties of the sample have been studied…
Phase change materials can be reversibly switched between amorphous and crystalline states and often show strong contrast in the optical and electrical properties of these two phases. They are now in widespread use for optical data storage,…
We investigated the chemical pressure effects on structural and electronic properties of SnTe-based material using partial substitution of Sn by Ag0.5Bi0.5, which results in lattice shrinkage. For Sn1-2x(AgBi)xTe, single-phase…
Achieving true bulk insulating behavior in Bi$_2$Se$_3$, the archetypal topological insulator with a simplistic one-band electronic structure and sizable band gap, has been prohibited by a well-known self-doping effect caused by selenium…
With a large band gap and a single Dirac cone responsible for the topological surface states, Bi2Se3 is widely regarded as a prototypical 3D topological insulator. Further applications of the bulk material has, however, been hindered by…
We present a comprehensive first-principles investigation of optical, transport, and thermoelectric properties of pure and doped hexagonal Si$_x$Ge$_{1-x}$ alloys based on density-functional theory calculations, the Boltzmann transport…
We report the results of our investigations on a polycrystalline sample of Lu$_2$Ir$_3$Si$_5$ which crystallizes in the U$_2$Co$_3$Si$_5$ type structure (Ibam). These investigations comprise powder X-ray diffraction, magnetic…
The article comprises structural, microstructural, and physical properties analysis of Bi2Se3-xTex (x= 0, 1, 2 and 3) mixed topological insulator (MTI) single crystals. All the crystals were grown through a well-optimized solid-state…