Related papers: Dislocation-point defect interaction on plasticity…
We report a combined theoretical and experimental search for thermoelectric materials based on semiconducting zinc antimony. Influence of three new doping elements (sodium, potassium and boron) on the electronic properties is investigated…
This study investigates the influence of indium doping on the defect states in (Bi0.3Sb0.7)2Te3 (BST) ternary topological insulators. Thin (10 nm) and thick (60 nm) films of pristine BST and indium-doped BST (In0.14(Bi0.3Sb0.7)1.86Te3) were…
This study combines broadband dielectric spectroscopy (BDS) experiments with molecular dynamics (MD) simulations to investigate the influence of nanoparticle (NP) inclusions on pretransitional phenomena in a liquid crystal (LC) host. We…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
Nickel and antimony co-doped Ti/SnO2 (Ti/Ni-Sb-SnO2) anodes were prepared by spray pyrolysis. Effects of nickel concentration on the structure and onset potential for oxygen evolution of Ti/Ni-Sb-SnO2 anodes have been systematically…
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…
Electronic transport near the insulator-metal transition is investigated in the molecular beam epitaxy-grown SrTiO3/Nd1-xTiO3/SrTiO3 heterostructures using temperature dependent magnetotransport measurements. It was found that Nd-vacancies…
High-speed electrical switching of Ge2Sb2Te5 (GST) remains a challenging task due to the large impedance mismatch between the low-conductivity amorphous state and the high-conductivity crystalline state. In this letter, we demonstrate an…
Interactions between an edge dislocation and a void in copper are investigated by means of molecular dynamics simulation. The depinning stresses of the leading partial and of the trailing partial show qualitatively different behaviors. The…
Doping Bi2Sr2Ca1Cu2O8+y with Co causes a superconductor-insulator transition. We study correlations between changes in the electrical resistivity RHOab(T) and the electronic bandstructure using identical single crystalline samples. For…
We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…
In doped SrTiO$_{3}$ superconductivity persists down to an exceptionally low concentration of mobile electrons. This restricts the relevant energy window and possible pairing scenarios. We present a study of quantum oscillations and…
Doping properties of Bi, Cr and Ag dopants in thermoelectric and topological materials PbTe and SnTe are analyzed based on density functional theory calculations in the local density approximations and the large supercell method. In…
The role of Cr incorporation into the ZnO were probed through investigations into the structural, optical and magnetic properties. Zn1-xCrxO with x = 0, 0.01, 0.03 and 0.05, nanoparticles were prepared by solution combustion method. Powder…
The structure of Nd$_{1-x}$Pb$_{x}$MnO$_{3}$ crystals is determined by single crystal X-ray diffraction. Substitution of Pb at the Nd site results in structural phase change from tetragonal (x = 0.25) to cubic (x = 0.37). These changes are…
Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical…
Aliovalent doping in an oxide material introduces modifications in the valence state of the host cation and often leads to tailoring the oxygen content in the lattice. Moreover, if the dopant cation is larger than the host cation, the…
All inorganic halide perovskites offer promising optoelectronic properties at low cost, but their structural softness and thermal instability limit applications. Density functional theory using the FP-LAPW method (WIEN2k) was used to study…
Dislocation nucleation is essential to our understanding of plastic deformation, ductility and mechanical strength of crystalline materials. Molecular dynamics simulation has played an important role in uncovering the fundamental mechanisms…
Substitution of La by Sr in the 25% Ni doped charge transfer insulator LaFeO3 creates structural changes that inflect the electrical conductivity caused by small polaron hopping via exchange interactions and charge transfer. The…