Diamond-like carbon (DLC) is a metastable form of amorphous carbon with significant sp3
bonding. DLC is a semiconductor with a high mechanical hardness, chemical inertness, and …

Up to this point, the electronic structure method to calculate the ab initio forces rIh jHej i was
not speci ed in detail. It is immediately clear that ab initio molecular dynamics is not tied to …

We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid
and amorphous elemental carbon. Based on a machine learning representation of the …

We perform a comparative study of six common carbon interatomic potentials: Tersoff, REBO-
II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are …

Pulsed laser deposition (PLD) is a conceptually and experimentally simple yet highly
versatile tool for thin-film and multilayer research. Its advantages for the film growth of oxides …

Using a combined experimental and theoretical approach, we address C 1 s core-level shifts
in amorphous carbon. Experimental results are obtained by x-ray photoelectron …

Electron configurations close to the tetrahedral hybridization are found in pure amorphous
carbon at a concentration which depends on preparation conditions. Tetrahedral bonding at …

A transferable empirical potential for carbon is developed by extending the environment-
dependent interaction potential proposed for silicon. Generalized coordination functions …

Humans first used carbon as chars from firewood in ritual paintings and primitive
metallurgical processes. Natural forms of carbon have been known since antiquity, yet the …

Because of its superior properties silicon carbide is one of the most promising materials for
power electronics, hard-and biomaterials. In the solid phase, the electronic and optical …