相关论文: Crystallization Mechanism Tuned Phase-Change Mater…
Polycrystalline hcp metals - an important class of engineering materials - typically exhibit complex plasticity because of a limited number of slip systems. Among these metals, deformation is even more complicated in cobalt as it commonly…
The precise nature of chemical-bonding interactions in amorphous, and crystalline, chalcogenides is still unclear due to the complexity arising from the delocalization of bonding, and non-bonding, electrons. Although an increasing degree of…
Transition Metal Dichalcogenides (TMDs) are one of the most studied two-dimensional materials in the last 5-10 years due to their extremely interesting layer dependent properties. Despite the presence of vast research work on TMDs, the…
Chalcogenide phase-change materials (PCMs) are one of the most mature candidates for next-generation memory technology. Recently, CrGeTe3 (CrGT) emerged as a promising PCM due to its enhanced amorphous stability and fast crystallization for…
We present thermodynamic crystallization and melting models and calculate phase change velocities in $Ge_2 Sb_2 Te_5$ based on kinetic and thermodynamic parameters. The calculated phase change velocities are strong functions of grain size,…
High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain…
Despite recent advances in active metaoptics, wide dynamic range combined with high-speed reconfigurable solutions is still elusive. Phase-change materials (PCMs) offer a compelling platform for metasurface optical elements, owing to the…
Interfacial Phase Change Memory (iPCM) retrench unnecessary power consumption due to wasted heat generated during phase change by reducing unnecessary entropic loss. In this study, an advanced iPCM (GeTe/Ti-Sb2Te3 Superlattice) is…
Combined static and molecular dynamics first-principles calculations are used to identify a direct structural link between the metastable crystalline and amorphous phases of Ge2Sb2Te5. We find that the phase transition is driven by the…
Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…
Despite considerable interest in layered transition metal dichalcogenides (TMDs), such as MX2 with M = (Mo, W) and X = (S, Se, Te), the physical origin of their topological nature is still poorly understood. In the conventional view of…
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the \gamma-surface method as a union of two perfect half…
Atomically thin layers of transition-metal dicalcogenides (TMDCs) are often known to be metastable in the ambient atmosphere. Understanding the mechanism of degradation is essential for their future applications in nanoelectronics, and thus…
We study how topological crystalline defects--dislocations--reshape the real-space quantum geometric tensor and act as tunable sources of quantum geometry. We show that dislocations strongly enhance the quantum metric, establishing a direct…
Cohesion mechanism of cubic approximant crystals of newly discovered binary quasicrystals, Cd$_6$M (M=Yb and Ca), are studied theoretically. It is found that stabilization due to alloying is obtained if M is an element with low-lying…
We present self-energy corrected tight-binging(TB) parameters in the basis of the directed hybridised atomic orbitals constructed from first principles, for nano-diamonds as well as bulk diamond and zinc blende structures made of elements…
By considering transition-metal (Shiba-Rusinov model) and rare-earth metal impurities (Abrikosov-Gor'kov theory) effect on a many-body system, i.e., a BCS s-wave superconductor, quantum bipartite entanglement of two electrons of the Cooper…
Equilibrium theormodynamics is characterized by two fundamental ideas: thermalisation--that systems approach a late time thermal state; and phase structure--that thermal states exhibit singular changes as various parameters characterizing…
We demonstrate theoretically the electric tunability due to coalescence of exceptional points in PT-symmetric waveguides bounded by imperfect conductive layers. Owing to the competition effect of multimode interaction, multiple exceptional…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…