Related papers: Molecular Dynamics Studies of Dislocations in CdTe…
Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils,…
We examine the distinct discrete time crystals (DTCs) that emerge in the Lipkin-Meshkov-Glick model, subjected to spatially nonuniform periodic driving. Intriguingly, we demonstrate that by appropriately tailoring the drive protocol,…
We present a systematic investigation of the low-frequency charge carrier dynamics in different charge states of the organic conductors $\theta$-(BEDT-TTF)$_2$$M$Zn(SCN)$_4$ with $M$=Rb,Tl, which result from quenching or relaxing the charge…
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…
In disordered transition-metal dichalcogenide (TMD) superconductor, both the strong spin-orbit coupling (SOC) and disorder show remarkable effects on superconductivity. However, the features of SOC and disorder were rarely detected…
Dislocations play a key role in the understanding of many phenomena in solid state physics, materials science, crystallography and engineering. Dislocations are line defects producing distortions and self-stresses in an otherwise perfect…
Magnetic semiconductors are at the core of recent spintronics research endeavors. Chemically doped II-VI diluted magnetic semiconductors, such as (Zn$_{1-x}$Cr$_{x}$)Te, provide promising platform in this quest. However, a detailed…
Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both internal and external (i.e. related to the interactions with the dielectric layer), especially for n-type materials. Internal…
We have investigated charge sharing among the anode strips of a CdZnTe (CZT) detector using a 30 micrometer collimated gamma-ray beam. We compared the laboratory measurements with the predictions from our modeling of the charge transport…
The layered transition metal dichalcogenide, TaSe2, exhibits rich electronic phenomena across its polymorphs, 1T, 2H, and 3R, largely driven by differences in atomic coordination and c-axis stacking. In the 1T phase, octahedral coordination…
Computational methods are fast becoming an integral part of nanoelectronics design process. With increasing computational power, electron transport simulation methods such as Non-equilibrium Greens function (NEGF) methods now hold promise…
A quantitative study was performed to investigate the impact of crystallographic dislocation defects, 21 including screw dislocation, basal plane dislocation, and threading edge dislocation, and their locations in 22 active and JTE region,…
We carried out high-pressure resistivity and Hall-effect measurements in single crystals of CdTe and ZnTe up to 12 GPa. Slight changes of transport parameters in the zincblende phase of CdTe are consitent with the shallow character of donor…
Transition-metal dichalcogenides (TMDs) $MX_2$ ($M$ = Ti, Nb, Ta; $X$ = S, Se, Te) exhibit a rich set of charge density wave (CDW) orders, which usually coexist and/or compete with superconductivity. The mechanisms of CDWs and…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…
Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic materials do not reach the same charge carrier mobility as…
Modern functional oxides are mainly engineered by doping, essentially by tuning the defect chemistry. Recent studies suggest that dislocations offer a new perspective for enhancing the mechanical and physical properties of ceramic oxides.…
By investigating the benefits and shortcomings of the existing form of continuous defect theory (CDT) and using recent advancements in size-dependent continuum mechanics, we develop a fully coherent theoretical framework, denoted as…
In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…
In highest quality organic single-crystal field-effect transistors, electron transport occurs in the band-like regime, with the carrier mobility increasing upon lowering temperature. Neither the microscopic nature of this regime, nor why it…