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The objective of this article is to study the behavior of electromagnetic field under X-ray diffraction by time-dependent deformed crystals. Derived system of differential equations looks like the Takagi equations in the case of…
The metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. The latter is the most stable and popular one: growing hexagonal-diamond Si or Ge without…
We calculate analytically the phase diagram of a two-dimensional square crystal and its wrapped version with defects under external homogeneous stress as a function of temperature using a simple elastic lattice model that allows for defect…
Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…
We study the stability of various kinds of graphene samples under soft X-ray irradiation. Our results show that in single layer exfoliated graphene (a closer analogue to two dimensional material), the in-plane carbon-carbon bonds are…
We theoretically study the diamagnetic levitation and the thermal-driven motion of graphite. Using the quantum-mechanically derived magnetic susceptibility, we compute the equilibrium position of levitating graphite over a periodic…
In-situ high pressure Raman spectroscopy is used to study monolayer, bilayer and few-layer graphene samples supported on silicon in a diamond anvil cell to 3.5 GPa. The results show that monolayer graphene adheres to the silicon substrate…
We report measurements of the specific heat, Hall effect, upper critical field and resistivity on bulk, B-doped diamond prepared by reacting amorphous B and graphite under high-pressure/high-temperature conditions. These experiments…
The fragile-to-strong glass transition is a fascinating phenomenon that still presents many theoretical and experimental challenges. A major one is how to tune the fragility of a glass-forming liquid. Here, we study a two-dimensional (2D)…
Graphene and some graphene like two dimensional materials; hexagonal boron nitride (hBN) and silicene have unique mechanical properties which severely limit the suitability of conventional theories used for common brittle and ductile…
Diamond quantum sensors offer high precision and spatial resolution as magnetic probes, making them promising for a wide range of applications. While diamond anvil cells (DACs) can generate extremely high pressures, techniques for…
We report a strain-controlled tuning of magnetism in transition-metal-atom-decorated graphene. Our first-principles calculations demonstrate that strain can lead to a sudden change in the magnetic configuration of a transition metal (TM)…
We have studied the graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underlying gold surface leaves unperturbed Dirac cones in the…
The mobility of dislocations is an important factor in understanding material strength. Dislocations experience a drag due to their interaction with the crystal structure, the dominating contribution at high stress and temperature being the…
Applying large strain in zigzag direction, gapless graphene may turns into gapped graphene at the critical strain. The energy gap between valence and conduction bands is created above the critical deformation. We theoretically predict that,…
We examine the atomistic scale dependence of material's resistance-to-failure by numerical simulations and analytical analysis in electrical analogs of brittle crystals. We show that fracture toughness depends on the lattice geometry in a…
By means of the first-principles calculations combined with the tight-binding approximation, the strain-induced semiconductor-semimetal transition in graphdiyne is discovered. It is shown that the band gap of graphdiyne increases from 0.47…
On the basis of studies of radiation-induced shape-change of reactor graphite GR-280, through the series of measurements of samples with different orientation of cutting with respect to the direction of extrusion, a conclusion is made about…
The bare and hydrogen-covered diamond (100) surfaces were investigated through pseudopotential density-functional calculations within the local-density approximation. Different coverages, ranging from one to two, were considered. These…
Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing diamond crystallites, two of the hardest materials. It is…