Tuning the electronic and magnetic properties of metal-doped phenanthrene by codoping method

By first principles method, we have determined the geometric configuration of K/Ba-codoped phenanthrene based on the formation energy calculations, and systematically investigated its electronic and magnetic properties. There are two bands crossing Fermi energy which mainly result from the LUMO+1 or...

Full description

Bibliographic Details
Main Authors: Xun-Wang Yan, Chunfang Zhang, Guohua Zhong, Jing Li
Format: Article
Language:English
Published: AIP Publishing LLC 2019-03-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5054765