Related papers: Mathematical Modeling of Graphite-to-Diamond Trans…
We compute the equilibrium crystal structure and phase stability of iron at the alpha(bcc)-gamma(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods for calculating electronic band structures…
Micrometer width and nanometer thick wires with different shapes were produced $\approx 3~\upmu$m below the surface of a diamond crystal using a microbeam of He$^+$ ions with 1.8~MeV energy. Initial samples are amorphous and after annealing…
Diamond and diamond color centers have become prime hardware candidates for solid state-based technologies in quantum information and computing, optics, photonics and (bio)sensing. The synthesis of diamond materials with specific…
Ramp compression experiments characterize high-pressure states of matter at temperatures well below those present in shock compression. However, because temperature is typically not directly measured during ramp compression, it is uncertain…
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…
Frequency references based on solid state spins promise simplicity, compactness, robustness, multifunctionality, ease of integration, and high densities of emitters. Nitrogen-vacancy (NV) centers in diamond are a natural candidate, but the…
The high-pressure melting curves of metals provide simple and useful tests for theories of melting, as well as important constraints for the modeling of planetary interiors. Here, we present an experimental technique that reveals the latent…
Controlling magnetism of transition metal atoms by pairing with $\pi$ electronic states of graphene is intriguing. Herein, through first - principle computation we explore the possibility of switching magnetization by forming the…
Transport and heat capacity measurements under pressure must reconcile the limited available space and complicated geometry of a high-pressure cell with the need for multiple electrical connections. One solution for diamond anvil cells is…
We have investigated the electronic structure and magnetic properties of GdN as a function of unit cell volume. Based on the first-principles calculations of GdN, we observe that there is a transformation in conduction properties associated…
Graphane is obtained by perfectly hydrogenating graphene. There exists an intermediate material, partially hydrogenated graphene (which we call \textit{hydrographene}), interpolating from pure graphene to pure graphane. It has various…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
Superconductivity with transition temperature $T_c=1.7$ K has been reported in bilayer graphene [1,2]. The main factors, which may shed light on the mechanism of the formation of this superconductivity, are the following. Superconductivity…
Numerical simulations of heat transport in diamond anvil cells reveal a possibility for absolute measurements of specific heat via high-frequency modulation calorimetry. Such experiments could reveal and help characterize temperature-driven…
This paper is an expanded edition of the rapid communication published several years ago by the author (Phys. Rev. B, v76, 041402(R), 2007) on the simulation of wetting transition of water on graphite, aiming to provide more details on the…
A high-current annealing technique is used to fabricate nanogaps and hybrid diamond/graphite structures in boron-doped nanocrystalline diamond films. Nanometer-sized gaps down to 1 nm are produced using a feedback-controlled current…
We use ultrafast electron crystallography to study structural changes induced in graphite by a femtosecond laser pulse. At moderate fluences of ~< 21mJ/cm^2, lattice vibrations are observed to thermalize on a time scale of ~8ps. At higher…
An interatomic potential for the diamond and graphite phases of carbon has been created using a neural-network (NN) representation of the ab initio potential energy surface. The NN potential combines the accuracy of a first-principle…
We propose a kinetic model of transient nonequilibrium phenomena in metals exposed to ultrashort laser pulses when heated electrons affect the lattice through direct electron-phonon interaction. This model describes the destruction of a…
Focused MeV ion microbeams are suitable tools for the direct writing of conductive graphitic channels buried in an insulating diamond bulk, as demonstrated in previous works with the fabrication of multi-electrode ionizing radiation…