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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5054765 |