BCNヘテロダイヤモンドの理論設計 [in Japanese] Theoretical Design of BCN Heterodiamond [in Japanese]
Access this Article
Search this Article
A computational-physics approach to design and prediction of hypothetical BCN heterodiamonds is reviewed. A probable heterodiamond BC<SUB>2</SUB>N structure that can be obtained from the compression of graphitic BC<SUB>2</SUB>N at low temperature is proposed using first-principles calculations. The structure, which has a large bulk modulus comparable to that of diamond as well as a wide band gap, can also be synthesized from a superlattice of graphite and hexagonal BN monolayers, suggesting that we could design a variety of polytypes.
- The Review of High Pressure Science and Technology
The Review of High Pressure Science and Technology 8(4), 268-272, 1998-11-01
The Japan Society of High Pressure Science and Technology