相关论文: Molecular Dynamics Studies of Dislocations in CdTe…

Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…

Dislocation motion--the atomic-scale mechanism of crystal plasticity--governs the strength and ductility of materials. In functional materials, external stimuli beyond mechanical stress can also affect dislocation glide. In the wide band…

Dislocations in ceramics have recently gained renewed research interest, in contrast to the traditional belief that ceramics are inherently brittle. Understanding dislocation mechanics in representative oxides is beneficial for effective…

It is well known that diamond does not deform plastically at room temperature and usually fails in catastrophic brittle fracture. Here we demonstrate room-temperature dislocation plasticity in sub-micrometer sized diamond pillars by in-situ…

We present structural, electrical, and thermoelectric potential measurements on high-quality single crystals of ZrTe$_{1.8}$ grown from isothermal chemical vapor transport. These measurements show that the Te-deficient ZrTe$_{1.8}$, which…

Recent advancements in dislocation engineering are reshaping the traditional view towards ceramics being brittle. Here, we use KTaO3 (KTO), a perovskite oxide that is newly discovered with room-temperature bulk plasticity, and demonstrate…

Transitions between different charge density wave (CDW) states in quasi-two-dimensional materials may be accompanied also by changes in the inter-layer stacking of the CDW. Using MeV ultrafast electron diffraction, the out-of-plane stacking…

There is compelling evidence that charge carriers in organic semiconductors (OSs) self-localize in nano-scale space because of dynamic disorder. Yet, some OSs, in particular recently emerged high-mobility organic molecular crystals, feature…

Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…

The SIDDHARTA-2 collaboration built a new cadmium-zinc-telluride (CZT, CdZnTe)-based X-ray detection system, used for the first time in the DA$\Phi$NE electron-positron collider at INFN-LNF. The aim of this work is to show that these…

Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of…

In previous reports a structural transition from a cubic phase of Yb$_3$Rh$_4$Sn$_{13}$ - type to the superlattice variant has been reported at $\sim160$ K for a series of skutterudite-related Ce$_3$M$_4$Sn$_{13}$ compounds, where M=Co, Ru…

Discovering new thermoelectric (TE) materials is an eternal goal in the TE field. Excellent TE materials have ranged from 3D stacked to 2D stacked bulk. However, the 1D stacked receives little attention due to the scarcity in quantity. In…

Nanoindentation, a common technique for probing the mechanical properties of crystalline materials, exhibits both surface and bulk-dominated responses that are linked to the parent crystal's elasticity and plasticity. For FCC crystals, the…

Topological materials occupy the central stage in the modern condensed matter physics because of their robust metallic edge or surface states protected by the topological invariant, characterizing the electronic band structure in the bulk.…

The electronic structures and thermoelectric properties of $\mathrm{Cs_2[PdCl_4]I_2}$ are investigated by the first-principles calculations and semiclassical Boltzmann transport theory. Both electron and phonon transport are considered to…

Optical control of crystal structures is a promising route to change physical properties including topological nature of a targeting material. Time-resolved X-ray diffraction measurements using the X-ray free-electron laser are performed to…

TaTe$_4$ is a quasi-1D tetrachalcogenide that exhibits a CDW instability caused by a periodic lattice distortion. Recently, pressure-induced superconductivity has been achieved in this compound, revealing a competition between these…

Layered Zintl compounds exhibit significant tunability of thermoelectric (TE) parameters facilitated by their multiple elemental combinations and flexibility in stacking order within the layers. In this work, the effect of stacking order on…

We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt-growth dynamics and fine-scale defect formation mechanisms in CdTe crystals. Previous molecular dynamics simulations of semiconductors have shown qualitatively…