Related papers: Strength-dependent Transition of Graphite Under Sh…
The electronic structure and dielectric properties of the diamond, body centered cubic diamond (bc8), and hexagonal diamond (lonsdaleite) phases of carbon are computed using density functional theory and many-body perturbation theory with…
There have recently been various reports of weak ferromagnetism in graphite (1,2) and synthetic carbon materials (3) such as rhombohedral C60 (4), as well as a theoretical prediction of a ferromagnetic instability in graphene sheets (5).…
Severe plastic deformations under high pressure are used to produce nanostructured materials but were studied ex-situ. We introduce rough diamond anvils to reach maximum friction equal to yield strength in shear and perform the first…
Superconductivity in single-layer graphene has attracted considerable interest. Here, using the determinant quantum Monte Carlo method, we study transitions of superconductivity and magnetism in a monolayer graphene with a special periodic…
Motivated by the recent observation of correlated insulator states and unconventional superconductivity in twisted bilayer graphene, we study the dependence of electron correlations on the twist angle and reveal the existence of strong…
The contact strength, adhesion and friction, between graphene and an incommensurate crystalline substrate such as {\it h}-BN depends on their relative alignment angle $\theta$. The well established Novaco-McTague (NM) theory predicts for a…
The sliding motion of gold slabs adsorbed on a graphite substrate is simulated using molecular-dynamics. The central quantity of interest is the mean lateral force, i.e., the kinetic friction rather than the maximum lateral forces, which…
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I…
Controlling the metal-insulator transition in graphene-based material is a crucial topic as it directly impacts its potential applications. Inspired by recent experiments, we study the effects of doping and bond disorder on metal-insulator…
This work demonstrates the effectiveness of the high-pressure method for the production of graphite and diamond with a high degree of boron doping using adamantanecarborane mixture as a precursor. At 8 GPa and $1700 ^{o}C$, graphite is…
Graphene, a thinnest material in the world, can form moire structures on different substrates, including graphite, h-BN, or metal surfaces. In such systems the structure of graphene, i. e. its corrugation, as well as its electronic and…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more…
We present a combined experimental and theoretical study on the quasi-one-dimensional organic conductor (TMTTF)$_2$PF$_6$, and elucidate the variation of its physical properties under pressure. We fully resolve the crystal structure by…
Surface electronic properties of undoped hydrogen terminated diamond covered with adsorbates or in electrolyte solutions are summarized. The formation of a conductive layer at the surface of diamond is discussed based on Hall effect,…
Diamond has attracted attention as a next-generation semiconductor because of its various exceptional properties such as a wide bandgap and high breakdown electric field. Diamond field effect transistors, for example, have been extensively…
Understanding temperature-dependent hardness of covalent materials is not only of fundamental scientific interest, but also of crucial importance for technical applications. In this work, a temperature-dependent hardness formula for…
The authors report micro-Raman investigation of changes in the single and bilayer graphene crystal lattice induced by the low and medium energy electron-beam irradiation (5 and 20 keV). It was found that the radiation exposures results in…
A series of measurements using a technique called electrostatic-manipulation scanning tunneling microscopy (EM-STM) were performed on a highly-oriented pyrolytic graphite surface. The electrostatic interaction between the STM tip and the…
We report experimental evidence of a Gardner-like transition from variable to persistent force contacts in a two-dimensional, bidisperse granular crystal by analyzing the variability of both particle positions and force networks formed…