Abstract
Intensive effort has recently been made in search of topological insulators (TIs) that have great potential in spintronics applications. In this paper, a novel concept of overlayer induced interfacial TI phase in conventional semiconductor surface is proposed. The first-principles calculations demonstrate that a p-band-element X (X=In, Bi, and Pb) decorated d-band surface, such as Au/Si(111) surface [X/Au/Si(111)] of an existing experimental system, offers a promising prototype for TIs. Specifically, Bi/Au/Si(111) and Pb/Au/Si(111) are identified to be large-gap TIs. A p-d band inversion mechanism induced by growth of X in the Au/Si(111) surface is revealed to function at different coverage of X with different lattice symmetries, suggesting a general approach of interface orbital engineering of large-gap TIs via tuning the interfacial atomic orbital position of X relative to Au.
| Original language | English (US) |
|---|---|
| Article number | 115117 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 11 |
| DOIs | |
| State | Published - Mar 9 2016 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
Cite this
Interface orbital engineering of large-gap topological states : Decorating gold on a Si(111) surface. / Huang, Bing; Jin, Kyung Hwan; Zhuang, Houlong; Zhang, Lizhi; Liu, Feng.
In: Physical Review B, Vol. 93, No. 11, 115117, 09.03.2016.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Interface orbital engineering of large-gap topological states
T2 - Decorating gold on a Si(111) surface
AU - Huang, Bing
AU - Jin, Kyung Hwan
AU - Zhuang, Houlong
AU - Zhang, Lizhi
AU - Liu, Feng
PY - 2016/3/9
Y1 - 2016/3/9
N2 - Intensive effort has recently been made in search of topological insulators (TIs) that have great potential in spintronics applications. In this paper, a novel concept of overlayer induced interfacial TI phase in conventional semiconductor surface is proposed. The first-principles calculations demonstrate that a p-band-element X (X=In, Bi, and Pb) decorated d-band surface, such as Au/Si(111) surface [X/Au/Si(111)] of an existing experimental system, offers a promising prototype for TIs. Specifically, Bi/Au/Si(111) and Pb/Au/Si(111) are identified to be large-gap TIs. A p-d band inversion mechanism induced by growth of X in the Au/Si(111) surface is revealed to function at different coverage of X with different lattice symmetries, suggesting a general approach of interface orbital engineering of large-gap TIs via tuning the interfacial atomic orbital position of X relative to Au.
AB - Intensive effort has recently been made in search of topological insulators (TIs) that have great potential in spintronics applications. In this paper, a novel concept of overlayer induced interfacial TI phase in conventional semiconductor surface is proposed. The first-principles calculations demonstrate that a p-band-element X (X=In, Bi, and Pb) decorated d-band surface, such as Au/Si(111) surface [X/Au/Si(111)] of an existing experimental system, offers a promising prototype for TIs. Specifically, Bi/Au/Si(111) and Pb/Au/Si(111) are identified to be large-gap TIs. A p-d band inversion mechanism induced by growth of X in the Au/Si(111) surface is revealed to function at different coverage of X with different lattice symmetries, suggesting a general approach of interface orbital engineering of large-gap TIs via tuning the interfacial atomic orbital position of X relative to Au.
UR - http://www.scopus.com/inward/record.url?scp=84960842571&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84960842571&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.93.115117
DO - 10.1103/PhysRevB.93.115117
M3 - Article
AN - SCOPUS:84960842571
VL - 93
JO - Physical Review B
JF - Physical Review B
SN - 2469-9950
IS - 11
M1 - 115117
ER -