Abstract:

The spin-orbit coupling (SOC) of single-walled carbon nanotube (SWNT) has been studied using both the first-principles and tight-binding methods. It is found that the curvature-induced ¦Ò - ¦Ð coupling in the SWNTs always causes a more strong SOC in their ¦Ð bonding states than their ¦Ð* anti-bonding ones. And a microscopic mechanism has been proposed to satisfactorily explain the experimental observation that the SOC- induced band splitting in the SWNTs is different for electrons and holes [Nature 452, 448 (2008)], which can not be accounted for by the present theories. Finally, a SOC's family behavior of the SWNTs is also found, showing that their SOC depends on both the tube's chirality and family type.
 
 
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