Phosphorene nanoribbons
Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas nanoribbons cut in the perpendicular direction (with zigzag and cli...
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| Veröffentlicht in: | Europhysics letters 2014-11, Vol.108 (4), p.47005-p1-47005-p6 |
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| container_title | Europhysics letters |
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| creator | Carvalho, A. Rodin, A. S. Castro Neto, A. H. |
| description | Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas nanoribbons cut in the perpendicular direction (with zigzag and cliff-type edges) are metallic, unless they undergo a reconstruction or distortion with cell doubling, which opens a gap. All stable nanoribbons with unsaturated edges have gap states that can be removed by hydrogen passivation. Armchair nanoribbon edge states decay exponentially with the distance to the edge and can be described by a nearly free electron model. This is used to prove the existence of the gap states in the limit of a semi-infinite plane. |
| doi_str_mv | 10.1209/0295-5075/108/47005 |
| format | Article |
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This is used to prove the existence of the gap states in the limit of a semi-infinite plane.</description><subject>73.20.At</subject><subject>73.63.-b</subject><subject>Chairs</subject><subject>Decay</subject><subject>Density functional theory</subject><subject>Distortion</subject><subject>Free electrons</subject><subject>Mathematical analysis</subject><subject>Mathematical models</subject><subject>Nanoribbons</subject><subject>Nanostructure</subject><subject>Phosphorene</subject><subject>Planes</subject><issn>0295-5075</issn><issn>1286-4854</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNp90M1LwzAYBvAgCs7p2YMXwYNeavMmzddRhp9MVFAULyGtCevsmppsoP-9mZUJIp5eCL8nefMgtAf4GAhWOSaKZQwLlgOWeSEwZmtoAETyrJCsWEeDldhEWzFOMQaQwAdo93biYzfxwbZ2vzWtD3VZ-jZuow1nmmh3vucQPZyd3o8usvHN-eXoZJxVBcHzjJRWKlxhBbyUzJLKcCJBVpYKYgpqgaVhQGLDS-ccK5RgxAqlnDOFtZQO0VF_bxf828LGuZ7VsbJNY1rrF1EDF0JRQQkkevCLTv0itGk7TQFw-jkInhTtVRV8jME63YV6ZsKHBqyXZellFXpZRTqR-quslMr6VB3n9n0VMeFVc0ETlfhRMyXv5PXzk75KPv_2vvtZ4_8XDv9I2K7pTa909-LoJydrg7M</recordid><startdate>20141101</startdate><enddate>20141101</enddate><creator>Carvalho, A.</creator><creator>Rodin, A. 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H.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Phosphorene nanoribbons</atitle><jtitle>Europhysics letters</jtitle><stitle>EPL</stitle><addtitle>EPL</addtitle><date>2014-11-01</date><risdate>2014</risdate><volume>108</volume><issue>4</issue><spage>47005</spage><epage>p1-47005-p6</epage><pages>47005-p1-47005-p6</pages><issn>0295-5075</issn><eissn>1286-4854</eissn><coden>EULEEJ</coden><abstract>Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas nanoribbons cut in the perpendicular direction (with zigzag and cliff-type edges) are metallic, unless they undergo a reconstruction or distortion with cell doubling, which opens a gap. All stable nanoribbons with unsaturated edges have gap states that can be removed by hydrogen passivation. Armchair nanoribbon edge states decay exponentially with the distance to the edge and can be described by a nearly free electron model. This is used to prove the existence of the gap states in the limit of a semi-infinite plane.</abstract><cop>Les Ulis</cop><pub>EDP Sciences, IOP Publishing and Società Italiana di Fisica</pub><doi>10.1209/0295-5075/108/47005</doi><tpages>6</tpages></addata></record> |
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| language | eng |
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| source | IOP Publishing Journals |
| subjects | 73.20.At 73.63.-b Chairs Decay Density functional theory Distortion Free electrons Mathematical analysis Mathematical models Nanoribbons Nanostructure Phosphorene Planes |
| title | Phosphorene nanoribbons |
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