Molecular-dynamics subplantation studies of carbon beneath the diamond (111) surface
The near-surface implantation of hyperthermal neutral carbon atoms of energy (15--75) eV onto a low-temperature diamond (111) substrate is studied by molecular dynamics using a density-functional-based nonorthogonal tight-binding scheme. Depending on the initial energy and the impact point, the atom...
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| Veröffentlicht in: | Physical review. B, Condensed matter Condensed matter, 1995-02, Vol.51 (7), p.4541-4546 |
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| container_end_page | 4546 |
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| container_issue | 7 |
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| container_title | Physical review. B, Condensed matter |
| container_volume | 51 |
| creator | Uhlmann, S Frauenheim, T Stephan, U |
| description | The near-surface implantation of hyperthermal neutral carbon atoms of energy (15--75) eV onto a low-temperature diamond (111) substrate is studied by molecular dynamics using a density-functional-based nonorthogonal tight-binding scheme. Depending on the initial energy and the impact point, the atoms penetrate beneath the exposed (111) surface forming regions of local disorder and stress. The energy partition during the collision is analyzed, yielding results about penetration and the displacement threshold. After a final relaxation of the structures we determine the penetration depth of the colliding particles. The structural topology and the electronic properties of the induced defects and surface modifications are discussed. |
| doi_str_mv | 10.1103/physrevb.51.4541 |
| format | Article |
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The structural topology and the electronic properties of the induced defects and surface modifications are discussed.</description><subject>ATOM COLLISIONS</subject><subject>CARBON</subject><subject>COLLISIONS</subject><subject>COMPUTERIZED SIMULATION</subject><subject>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</subject><subject>DEFECTS</subject><subject>DIAMONDS</subject><subject>DISPLACEMENT RATES</subject><subject>ELECTRONIC STRUCTURE</subject><subject>ELEMENTAL MINERALS</subject><subject>ELEMENTS</subject><subject>ENERGY</subject><subject>ENERGY RANGE</subject><subject>EV RANGE</subject><subject>EV RANGE 10-100</subject><subject>MINERALS</subject><subject>NONMETALS</subject><subject>SIMULATION 665300 -- Interactions Between Beams & Condensed Matter-- (1992-)</subject><subject>STRESSES</subject><subject>THRESHOLD ENERGY</subject><issn>0163-1829</issn><issn>1095-3795</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1995</creationdate><recordtype>article</recordtype><recordid>eNo9kE1LxDAQhoMoun7cvQjFkx66ZpJN2xxV_AJFET2HdDJlK22zNqmw_97ILg4DA8PzDszD2CnwOQCXV6vlOoz0U88VzBdqATtsBlyrXJZa7bIZh0LmUAl9wA5D-OKpRKH32b7WpZacz9jHi-8Ip86OuVsPtm8xZGGqV50doo2tH7IQJ9dSyHyToR3rtKlpIBuXWVxS5lrb-8FlFwBwmZJjY5GO2V5ju0An23nEPu_vPm4f8-fXh6fb6-ccZaVjXjQCtXVV7SpsgAuJpbLSFUojlnxR60ZUJWmFC1GAshxFqRSvyWlsOIGQR-x8c9eH2JqAbSRcoh8GwmgKVQiuZIIuNtBq9N8ThWj6NiB16UPyUzBQKS14mTqhfIPi6EPy2pjV2PZ2XBvg5s-3eUu-3-nnxigwf75T5Gx7fap7cv-BrWD5C2MhfN8</recordid><startdate>19950215</startdate><enddate>19950215</enddate><creator>Uhlmann, S</creator><creator>Frauenheim, T</creator><creator>Stephan, U</creator><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><scope>OTOTI</scope></search><sort><creationdate>19950215</creationdate><title>Molecular-dynamics subplantation studies of carbon beneath the diamond (111) surface</title><author>Uhlmann, S ; Frauenheim, T ; Stephan, U</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c389t-6f2c9ad8bd8cf1023c75a3d659cc704b9f287e95c42615a0c27550bed9cf0e123</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1995</creationdate><topic>ATOM COLLISIONS</topic><topic>CARBON</topic><topic>COLLISIONS</topic><topic>COMPUTERIZED SIMULATION</topic><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>DEFECTS</topic><topic>DIAMONDS</topic><topic>DISPLACEMENT RATES</topic><topic>ELECTRONIC STRUCTURE</topic><topic>ELEMENTAL MINERALS</topic><topic>ELEMENTS</topic><topic>ENERGY</topic><topic>ENERGY RANGE</topic><topic>EV RANGE</topic><topic>EV RANGE 10-100</topic><topic>MINERALS</topic><topic>NONMETALS</topic><topic>SIMULATION 665300 -- Interactions Between Beams & Condensed Matter-- (1992-)</topic><topic>STRESSES</topic><topic>THRESHOLD ENERGY</topic><toplevel>online_resources</toplevel><creatorcontrib>Uhlmann, S</creatorcontrib><creatorcontrib>Frauenheim, T</creatorcontrib><creatorcontrib>Stephan, U</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>OSTI.GOV</collection><jtitle>Physical review. B, Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Uhlmann, S</au><au>Frauenheim, T</au><au>Stephan, U</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular-dynamics subplantation studies of carbon beneath the diamond (111) surface</atitle><jtitle>Physical review. B, Condensed matter</jtitle><addtitle>Phys Rev B Condens Matter</addtitle><date>1995-02-15</date><risdate>1995</risdate><volume>51</volume><issue>7</issue><spage>4541</spage><epage>4546</epage><pages>4541-4546</pages><issn>0163-1829</issn><eissn>1095-3795</eissn><abstract>The near-surface implantation of hyperthermal neutral carbon atoms of energy (15--75) eV onto a low-temperature diamond (111) substrate is studied by molecular dynamics using a density-functional-based nonorthogonal tight-binding scheme. Depending on the initial energy and the impact point, the atoms penetrate beneath the exposed (111) surface forming regions of local disorder and stress. The energy partition during the collision is analyzed, yielding results about penetration and the displacement threshold. After a final relaxation of the structures we determine the penetration depth of the colliding particles. The structural topology and the electronic properties of the induced defects and surface modifications are discussed.</abstract><cop>United States</cop><pmid>9979300</pmid><doi>10.1103/physrevb.51.4541</doi><tpages>6</tpages></addata></record> |
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| identifier | ISSN: 0163-1829 |
| ispartof | Physical review. B, Condensed matter, 1995-02, Vol.51 (7), p.4541-4546 |
| issn | 0163-1829 1095-3795 |
| language | eng |
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| source | American Physical Society Journals |
| subjects | ATOM COLLISIONS CARBON COLLISIONS COMPUTERIZED SIMULATION CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY DEFECTS DIAMONDS DISPLACEMENT RATES ELECTRONIC STRUCTURE ELEMENTAL MINERALS ELEMENTS ENERGY ENERGY RANGE EV RANGE EV RANGE 10-100 MINERALS NONMETALS SIMULATION 665300 -- Interactions Between Beams & Condensed Matter-- (1992-) STRESSES THRESHOLD ENERGY |
| title | Molecular-dynamics subplantation studies of carbon beneath the diamond (111) surface |
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