Localization of polarons: A calculation in the adiabatic approximation
We have calculated the properties of an extra charge carrier in a polar medium in using a realistic self-consistent tight-binding molecular-dynamics method at finite temperature. This approach permits a quantitative, realistic study of polaron structure at finite temperatures. Using rutile titanium...
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| Veröffentlicht in: | Physical review. B, Condensed matter Condensed matter, 2000-08, Vol.62 (5), p.3241-3245 |
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| container_issue | 5 |
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| container_title | Physical review. B, Condensed matter |
| container_volume | 62 |
| creator | Schelling, P. K. Halley, J. W. |
| description | We have calculated the properties of an extra charge carrier in a polar medium in using a realistic self-consistent tight-binding molecular-dynamics method at finite temperature. This approach permits a quantitative, realistic study of polaron structure at finite temperatures. Using rutile titanium dioxide, as an example, we report numerical data on the participation ratio as a function of temperature. The results are consistent for a transition from a delocalized to a localized polaron at a temperature below about 100 K. We interpret the observed localization as arising from an Anderson-like mechanism in which the disorder associated with the thermal motion of the atoms localizes the electron. We briefly discuss implications for transport. (c) 2000 The American Physical Society. |
| doi_str_mv | 10.1103/PhysRevB.62.3241 |
| format | Article |
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B, Condensed matter</title><description>We have calculated the properties of an extra charge carrier in a polar medium in using a realistic self-consistent tight-binding molecular-dynamics method at finite temperature. This approach permits a quantitative, realistic study of polaron structure at finite temperatures. Using rutile titanium dioxide, as an example, we report numerical data on the participation ratio as a function of temperature. The results are consistent for a transition from a delocalized to a localized polaron at a temperature below about 100 K. We interpret the observed localization as arising from an Anderson-like mechanism in which the disorder associated with the thermal motion of the atoms localizes the electron. We briefly discuss implications for transport. (c) 2000 The American Physical Society.</description><subject>ADIABATIC APPROXIMATION</subject><subject>BAND THEORY</subject><subject>CHARGE CARRIERS</subject><subject>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</subject><subject>POLARONS</subject><subject>TEMPERATURE RANGE 0000-0013 K</subject><subject>TEMPERATURE RANGE 0013-0065 K</subject><subject>TEMPERATURE RANGE 0065-0273 K</subject><subject>THEORETICAL DATA</subject><subject>TITANIUM OXIDES</subject><subject>TRANSPORT THEORY</subject><issn>0163-1829</issn><issn>1098-0121</issn><issn>1095-3795</issn><issn>1550-235X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2000</creationdate><recordtype>article</recordtype><recordid>eNo1kM1LxDAQxYMoWFfvHgOeW_PRph1v6-KqUFBEzyFNExqpTWmquP71m7U6lwfze8w8HkKXlGSUEn793O3Ci_m6zQTLOMvpEUoogSLlJRTHKCFU8JRWDE7RWQjvJA4TkKBt7bXq3Y-anR-wt3j0vZr8EG7wGkeiP_sFuQHPncGqdaqJG43VOE7-23384nN0YlUfzMWfrtDb9u5185DWT_ePm3Wd6vhtTiGHvGKlaIUxAgooc2tj-JLzRgMRABSKxiouDFQFp8Q0hlAbUxetrVrR8hW6Wu76MDsZtJuN7rQfBqNnyQijJWN5dJHFpScfwmSsHKcYdNpJSuShLfnflhRMHtrie2bfXlc</recordid><startdate>20000801</startdate><enddate>20000801</enddate><creator>Schelling, P. 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W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c269t-94948276d6ee695974ff103733bc90699195bfa36e985310ebe01f8295df8d6d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2000</creationdate><topic>ADIABATIC APPROXIMATION</topic><topic>BAND THEORY</topic><topic>CHARGE CARRIERS</topic><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>POLARONS</topic><topic>TEMPERATURE RANGE 0000-0013 K</topic><topic>TEMPERATURE RANGE 0013-0065 K</topic><topic>TEMPERATURE RANGE 0065-0273 K</topic><topic>THEORETICAL DATA</topic><topic>TITANIUM OXIDES</topic><topic>TRANSPORT THEORY</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Schelling, P. K.</creatorcontrib><creatorcontrib>Halley, J. W.</creatorcontrib><collection>CrossRef</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>Schelling, P. K.</au><au>Halley, J. W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Localization of polarons: A calculation in the adiabatic approximation</atitle><jtitle>Physical review. B, Condensed matter</jtitle><date>2000-08-01</date><risdate>2000</risdate><volume>62</volume><issue>5</issue><spage>3241</spage><epage>3245</epage><pages>3241-3245</pages><issn>0163-1829</issn><issn>1098-0121</issn><eissn>1095-3795</eissn><eissn>1550-235X</eissn><abstract>We have calculated the properties of an extra charge carrier in a polar medium in using a realistic self-consistent tight-binding molecular-dynamics method at finite temperature. This approach permits a quantitative, realistic study of polaron structure at finite temperatures. Using rutile titanium dioxide, as an example, we report numerical data on the participation ratio as a function of temperature. The results are consistent for a transition from a delocalized to a localized polaron at a temperature below about 100 K. We interpret the observed localization as arising from an Anderson-like mechanism in which the disorder associated with the thermal motion of the atoms localizes the electron. We briefly discuss implications for transport. (c) 2000 The American Physical Society.</abstract><cop>United States</cop><doi>10.1103/PhysRevB.62.3241</doi><tpages>5</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0163-1829 |
| ispartof | Physical review. B, Condensed matter, 2000-08, Vol.62 (5), p.3241-3245 |
| issn | 0163-1829 1098-0121 1095-3795 1550-235X |
| language | eng |
| recordid | cdi_osti_scitechconnect_20217224 |
| source | American Physical Society Journals |
| subjects | ADIABATIC APPROXIMATION BAND THEORY CHARGE CARRIERS CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY POLARONS TEMPERATURE RANGE 0000-0013 K TEMPERATURE RANGE 0013-0065 K TEMPERATURE RANGE 0065-0273 K THEORETICAL DATA TITANIUM OXIDES TRANSPORT THEORY |
| title | Localization of polarons: A calculation in the adiabatic approximation |
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