Doping-induced insulator–metal transition in haloform intercalated C60 solids: a first-principle study

Qing-Rong Zheng, Gang Su ∗ , Biao Jin

Department of Physics, The Graduate School of the Chinese Academy of Sciences, P.O. Box 3908, Beijing 100039, China

Received 25 August 2003; accepted 10 September 2003 Communicated by V.M. Agranovich

Abstract The electronic structures of haloform intercalated molecular solids C60 · 2CHX3 (X = Cl,Br) at low temperature are investigated by a first-principle calculation. It is found that the density of states of these solids at the Fermi level are quite low, and a phenomenon of hole doping induced insulator–metal transition in these systems is observed at low temperature.

2003 Elsevier B.V. All rights reserved. PACS: 71.20.Tx; 61.48.+c