Related papers: Spontaneous graphitization of ultrathin cubic stru…
Recently, superconductivity was discovered at very low densities in slightly misaligned graphene multilayers. Surprisingly, despite extremely low electronic density (about $10^{-4}$ electrons per unit cell), these systems realize…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
We review our recent work on magnetic properties of graphite and related carbon materials. The results demonstrate that a structural disorder, topological defects, as well as adsorbed foreign atoms can be responsible for the occurrence of…
Due to the absence of matching carbon atoms at honeycomb centers with carbon atoms in adjacent graphene sheets, theorists predicted that a sliding process is needed to form AA, AB, or ABC stacking when directly converting graphite into sp3…
The physical mechanisms for damage formation in graphite films induced by femtosecond laser pulses are analyzed using a microscopic electronic theory. We describe the nonequilibrium dynamics of electrons and lattice by performing molecular…
Boron nitride (BN) is a material with outstanding technological promise because of its exceptional thermochemical stability, structural, electronic and thermal conductivity properties, and extreme hardness. Yet, the relative thermodynamic…
Based on the calculation and analysis of local Green functions of impurity atoms of low concentration in a two-dimensional graphene lattice, the conditions for the formation and characteristics of local discrete levels with energies lying…
The degree of laser-induced graphitisation from a sp3-bonded to a sp2-bonded carbon fraction in a single crystal chemical vapour deposited (CVD) diamond under a varying fluence of an ultrashort pulsed laser (30 fs, 800 nm, 1 kHz)…
Based on first-principles simulations and calculations, we explore the evolution of crystal structure, electronic structure and transport properties of quasi 2D layered PdS2 under uniaxial stress and hydrostatic pressure. The coordination…
Understanding the way disordered particle packings transition between jammed (rigid) and unjammed (fluid) states is of both great practical importance and strong fundamental interest. The values of critical packing fraction (and other state…
The structural properties under hydrostatic pressure up to 3 GPa of the layered rare earth carbide halide superconductor Y2C2I2 are studied by neutron powder diffraction at room temperature. The compressibilities are anisotropic, such that…
Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site…
We consider close-packed tiling models of geometric objects -- a mixture of hardcore dimers and plaquettes -- as a generalisation of the familiar dimer models. Specifically, on an anisotropic cubic lattice, we demand that each site be…
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…
Matter at intermediate baryon densities and low temperatures is notoriously hard to tackle theoretically. Whereas lattice methods cannot cover more than rather small densities, perturbative methods are only applicable at much higher…
We theoretically analyze the surface density of states of heavy fermion materials such as CeCoIn$_5$. Recent experimental progress made it possible to locally probe the formation of heavy quasi-particles in these systems via scanning…
Tunable composite materials with interesting physical behavior can be designed through integrating unique optical properties of solid nanostructures with the facile responses of soft matter to weak external stimuli, but this approach…
Colloidal and other granular media experience a transition to rigidity known as jamming if the fill fraction is increased beyond a critical value. The resulting jammed structures are locally disordered, bear applied loads inhomogenously,…
The possibility for carbon materials such as activated carbon fibers or graphite ribbons, to support edge-states could change drastically their magnetic properties. The purpose of this work is to propose a novel way to identify the…
Ball-milling graphite was conducted in miscible solutions with the purpose to exfoliate graphene. Colloid-like stable supernatants were unexpectedly obtained. Followed were the characterizations with Scanning electronic microscopy,…