相关论文: Molecular Dynamics Studies of Dislocations in CdTe…
High quality p-type PbTe-CdTe monocrystalline alloys containing up to 10 at.$\%$ of Cd are obtained by self-selecting vapor transport method. Mid infrared photoluminescence experiments are performed to follow the variation of the…
In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…
The properties of perfect screw dislocations have been investigated for several zinc-blende materials such as diamond, Si, $\beta$-SiC, Ge and GaAs, by performing first principles calculations. For almost all elements, a core configuration…
We study the thermoelectric properties of three-dimensional topological Anderson insulators with line dislocations. We show that at high densities of dislocations the thermoelectric figure of merit ZT can be dominated by one-dimensional…
The diverse electronic properties of transition metal chalcogenides can be very sensitive to crystal imperfections. A new crystal growth technique, known as horizontal flux transport, offers a route to improved crystal quality. By refining…
Transition metal-based quaternary chalcogenides have gathered immense attention for various renewable energy applications including thermoelectrics (TE). While low-symmetry and complex structure help to achieve low thermal conductivity, the…
The present paper studies non-uniform plastic deformations of crystals undergoing anti-plane constrained shear. The asymptotically exact energy density of crystals containing a moderately large density of excess dislocations is found by the…
Topological defects are ubiquitous, they manifest in a wide variety of systems such as liquid crystals, magnets or superconductors. The recent quest for nonabelian anyons in condensed matter physics stimulates the interest for topological…
Much effort has been devoted to the electronic properties of relatively thick ZrTe5 crystals, focusing on their three-dimensional topological effects. Thin ZrTe5 crystals, on the other hand, were much less explored experimentally. Here we…
Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…
The mechanical behavior of crystals is dominated by dislocation networks, their structure and their interactions with impurities or thermal phonons. However, in classical crystals, networks are usually random with impurities often forming…
Superconductivity (Tc), like any other property of a condensate, depends critically on the concentration of atoms. "Physical" dilution of metals exists in nonstoichiometric compounds. In such stoichiometric compounds as oxides, oxygen…
We study the electronic properties of the glide set of dislocations in diamond from first principles using hybrid exchange correlation functionals and find that the atomic-scale dislocation core states give rise to a prototypical…
Multiple functional ionic and electronic orders are observed in high temperature superconducting cuprates. The charge density wave order is one of them and it is spatially localized in spatial regions of the material. It is also known that…
The field of Materials Science is concerned with, e.g., properties and performance of materials. An important class of materials are crystalline materials that usually contain ``dislocations'' -- a line-like defect type. Dislocation…
Either in bulk form, or when exfoliated into atomically thin crystals, layered transition metal dichalcogenides are continuously leading to the discovery of new phenomena. The latest example is provided by 1T'-WTe$_2$, a semimetal recently…
Stacking orders and topological defects substantially influence the physical properties of 2D van der Waals (vdW) materials. However, the inherent features of 2D materials challenge the effectiveness of single characterization techniques in…
The lifting of $d_{xz}$-$d_{yz}$ orbital degeneracy is often considered a hallmark of the nematic phase of Fe-based superconductors, including FeSe, but its origin is not yet understood. Here we report a high resolution Angle-Resolved…
Cd1-xZnxTe crystals with x in the range of 0.1-0.2 were grown by the high-pressure vertical Bridgman method from pre-synthesized CZT. Resistive graphite heaters were used to control the temperature profiles within the furnaces, and an argon…
New generation Cadmium Telluride (CZT & CdTe) solid state detectors can provide high quantum efficiency with reasonably good energy resolution and can operate at near room temperature; an unique advantage for space experiments. We present…