Related papers: Comprehensive structural changes in nanoscale-defo…
Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…
Silicene (a monolayer of silicon atoms) is a quantum spin-Hall insulator, which undergoes a topological phase transition into other insulators by applying external field such as electric field, photo-irradiation and antiferromagnetic order.…
Silicon offers great promise as a potential anode active material and the optimum alternative to lithium metal in all-solid-state lithium-ion batteries. However, its practical application is limited by severe volume expansion (~300%) during…
The nanoscale moir\'e pattern formed at 2D transition metal dichalcogenide crystal (TMDC) heterostructures provides periodic trapping sites for excitons, which is essential for realizing various exotic phases such as artificial exciton…
Silicon carbide (SiC) is an essential material for next generation semiconductors and components for nuclear plants. It's applications are strongly dependent on its thermal conductivity, which is highly sensitive to microstructures.…
Aluminum oxide nanoparticles are increasingly sought in numerous technological applications. However, as the nanoparticles grow during the synthesis, two phase transitions occur. At the nanoscale, numerical simulation of the stability of…
Nanoindentation-induced phase transformation in silicon has been studied. A series of nanoindentations were made with the sharp diamond Berkovich tip. During nanoindentations, maximum load ranged from 2000 $\mu$N to 5000 $\mu$N, with a 1000…
We analyse a binary mixture of colloidal parallel hard cylindrical particles with identical diameters but dissimilar lengths $L_1$ and $L_2$, with $s=L_2/L_1=3$, confined by two parallel hard walls in a planar slit-pore geometry, using a…
Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous-crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this paper,…
Borosilicate glasses are traditionally challenging to model using atomic scale simulations due to the composition and thermal history dependence of the coordination state of B atoms. Here, we report a new empirical interatomic potential…
We propose and demonstrate hybrid all-optical switching devices that combine silicon nanocavities and two-dimensional semiconductor material. By exploiting the refractive index modulation caused by photo-induced carriers in the…
Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…
Unlocking the potential of topological order within many-body spin systems has long been a central pursuit in the realm of quantum materials. Despite extensive efforts, the quest for a versatile platform enabling site-selective spin…
Featured with a plethora of electric and magnetic Mie resonances, high index dielectric nanostructures offer a versatile platform to concentrate light-matter interactions at the nanoscale. By integrating unique features of far-field…
The relaxation of atomic positions to their optimal structural arrangement is crucial for understanding the emergence of new physical behavior in long scale superstructures in twisted bilayers of two-dimensional materials. The amount of…
The photoelectrodissolution of n-type silicon constitutes a convenient model system to study the nonlinear dynamics of oscillatory media. On the silicon surface, a silicon oxide layer forms. In the lateral direction, the thickness of this…
Inorganic semiconductor materials are integral to various modern technologies, yet their brittleness and limited deformability/processability pose a significant challenge in the development of flexible, wearable, and miniaturized…
Hybrid superconductor/semiconductor devices play a crucial role in advancing quantum science and technology by merging the properties of superconductors and semiconductors. To operate these devices at high temperature, Niobium could…
We use angle-resolved photoemission spectroscopy to study twinned and detwinned iron pnictide compound NaFeAs. Distinct signatures of electronic reconstruction are observed to occur at the structural (TS) and magnetic (TSDW) transitions. At…
Thermoelectric device is a promising next-generation energy solution owing to its capability to transform waste heat into useful electric energy, which can be realized in materials with high elec- tric conductivities and low thermal…