Solid C36 as hexaclathrate form of carbon

被引:16
作者
Menon, M [1 ]
Richter, E
Chernozatonskii, L
机构
[1] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[2] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
[3] DaimlerChrysler AG FT3SA, D-89081 Ulm, Germany
[4] Russian Acad Sci, Inst Biochem Phys, Moscow 117977, Russia
关键词
D O I
10.1103/PhysRevB.62.15420
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The structure and stability of the newly synthesized C-36 solid is investigated using a generalized tight-binding molecular-dynamics method. Symmetry and electronic structure analysis point to a new form of carbon clathrate containing C-36 fullerenes as building blocks. All of its atoms have sp(3) bonding and the structure has exact D-6h symmetry. This is consistent with the electron-diffraction pattern of the new solid.
引用
收藏
页码:15420 / 15423
页数:4
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