First-principles calculation of alloy scattering in GexSi1-x
| dc.contributor.author | Murphy-Armando, Felipe | |
| dc.contributor.author | Fahy, Stephen B. | |
| dc.date.accessioned | 2016-06-03T08:59:36Z | |
| dc.date.available | 2016-06-03T08:59:36Z | |
| dc.date.issued | 2006-09 | |
| dc.date.updated | 2013-02-20T12:47:25Z | |
| dc.description.abstract | First-principles electronic structure methods are used to find the rates of intravalley and intervalley n-type carrier scattering due to alloy disorder in Si1-xGex alloys. The required alloy scattering matrix elements are calculated from the energy splitting of nearly degenerate Bloch states which arises when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Scattering parameters for all relevant Delta and L intravalley and intervalley alloy scattering are calculated. Atomic relaxation is found to have a substantial effect on the scattering parameters. f-type intervalley scattering between Delta valleys is found to be comparable to other scattering channels. The n-type carrier mobility, calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation, is in excellent agreement with experiments on bulk, unstrained alloys. | en |
| dc.description.status | Peer reviewed | en |
| dc.description.version | Published Version | en |
| dc.format.mimetype | application/pdf | en |
| dc.identifier.articleid | 096606 | |
| dc.identifier.citation | Murphy-Armando, F. and Fahy, S. B. (2006) 'First-principles calculation of alloy scattering in GexSi1-x'. Physical Review Letters, 97 (9), 096606. doi:10.1103/PhysRevLett.97.096606 | en |
| dc.identifier.doi | 10.1103/PhysRevLett.97.096606 | |
| dc.identifier.endpage | 096606-4 | en |
| dc.identifier.issn | 0031-9007 | |
| dc.identifier.issn | 1079-7114 | |
| dc.identifier.issued | 9 | en |
| dc.identifier.journaltitle | Physical Review Letters | en |
| dc.identifier.startpage | 096606-1 | en |
| dc.identifier.uri | https://hdl.handle.net/10468/2685 | |
| dc.identifier.volume | 97 | en |
| dc.language.iso | en | en |
| dc.publisher | American Physical Society | en |
| dc.relation.uri | http://link.aps.org/doi/10.1103/PhysRevLett.97.096606 | |
| dc.rights | © 2006 The American Physical Society | en |
| dc.subject | SixGe1-x alloys | en |
| dc.subject | Electron theory | en |
| dc.subject | Mobility | en |
| dc.subject | Pseudopotentials | en |
| dc.subject | Semiconductors | en |
| dc.subject | Transport | en |
| dc.subject | Systems | en |
| dc.subject | Devices | en |
| dc.subject | Model | en |
| dc.subject | Si | en |
| dc.title | First-principles calculation of alloy scattering in GexSi1-x | en |
| dc.type | Article (peer-reviewed) | en |
