Phase Transition Process of Graphite to Diamond Induced by Monodispersed Tantalum Atoms at Ordinary Pressure

Z Zhu, C Chen, S Lu, X Li, X Hu - Advanced Science, 2025 - Wiley Online Library
The transformation of graphite into diamond (2–10 nm) at ordinary pressure by
monodispersed Ta atoms was recently reported, while the effects of Ta concentration on the …

n-Diamond: Dynamical stability of proposed structures

G Baldissin, DJ Bull - Diamond and related materials, 2013 - Elsevier
A number of experimental works, mainly under extreme conditions, report a carbon phase
with the same reflections as diamond but showing additional reflections that are forbidden …

Hydrogen-doped cubic diamond and the crystal structure of n-diamond

B Wen, R Melnik, S Yao, T Li - Chemical Physics Letters, 2011 - Elsevier
A comprehensive analysis of the crystal structure of n-diamond has been carried out based
on a hydrogen-doped (H-doped) diamond model using first principles calculations. In …

First-principles and Monte Carlo studies on the magnetic stability of half-metallic zinc-blende CaC and similar compounds

S Dong, HC Ding, B Zhou, CG Duan, P Wu… - Journal of Magnetism …, 2015 - Elsevier
Using the first-principles calculation based on density functional theory and Monte Carlo
simulation within the Heisenberg Hamiltonian, we have investigated the magnetic stability at …

Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: Comparison with n-diamond

M Dadsetani, JT Titantah, D Lamoen - Diamond and related materials, 2010 - Elsevier
The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-
hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon …

[图书][B] A first-principles investigation on substitutions in the carbon allotropes glitter and graphene

G Baldissin - 2013 - search.proquest.com
In the literature, a number of syntheses of carbon materials under extreme condition exhibit
the presence of a carbon phase, called n-diamond, whose crystal structure remains unclear …