Instability of graphite structure induced by excited holes

We are proposing a brand new method to synthesize diamond via electronically excited states. An ab initio pseudopotential total-energy calculation has been carried out in order to investigate the stability of the graphite structure under hole dopings (substitutional B, Be or intercalated F). As a result, the graphite is unstabilized by doping holes. The activation energy for the conversion from the graphite to the diamond dramatically decreases, which will result in drastic decrease of the transition pressures and temperatures. On the other hand, the local lattice relaxation around the acceptor atom may adversely affect the whole lattice changes in the diamond structure.