Electron-Phonon Interactions in Solid C{sub 36}
- Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
Among the experimentally observed structures of molecular C{sub 36} , our calculations show that the structure with D{sub 6h} symmetry is one of the two most energetically favorable. Based on this result and the fact that D{sub 6h} is conducive to forming a periodic system, we propose a new solid phase of carbon using C{sub 36} fullerenes as a basis. Full structural relaxations and electronic density of states are evaluated using an {ital ab initio} pseudopotential plane wave method within the local density approximation. The calculated electron-phonon interaction potential is found to be substantially enhanced compared to C{sub 60} , leading to the possibility of larger superconducting transition temperatures than in alkali-doped C{sub 60} solids. {copyright} {ital 1998} {ital The American Physical Society}
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 639106
- Journal Information:
- Physical Review Letters, Vol. 81, Issue 3; Other Information: PBD: Jul 1998
- Country of Publication:
- United States
- Language:
- English
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