Ferrimagnetic Slater Insulator Phase of the Sn/Ge(111) Surfaceopen access
- Authors
- Lee, Jun-Ho; Kim, Hyun-Jung; Cho, Jun-Hyung
- Issue Date
- Sep-2013
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW LETTERS, v.111, no.10, pp.1 - 5
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW LETTERS
- Volume
- 111
- Number
- 10
- Start Page
- 1
- End Page
- 5
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/143689
- DOI
- 10.1103/PhysRevLett.111.106403
- ISSN
- 0031-9007
- Abstract
- We perform semilocal and hybrid density-functional theory (DFT) studies of the Sn/Ge(111) surface to identify the origin of the observed insulating root 3 x root 3 phase below similar to 30 K. In contrast with the semilocal DFT calculation predicting a metallic 3 x 3 ground state, the hybrid DFT calculation including van der Waals interactions shows that the insulating ferrimagnetic structure with a root 3 x root 3 structural symmetry is energetically favored over the metallic 3 x 3 structure. It is revealed that the correction of the self-interaction error with a hybrid exchange-correlation functional gives rise to a band gap opening induced by a ferrimagnetic order. The results show that the observed insulating phase is attributed to the Slater mechanism via itinerant magnetic order rather than the hitherto accepted Mott-Hubbard mechanism via electron correlations.
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