Point defect engineering strategies to retard phosphorous diffusion in germanium

Handle URI:
http://hdl.handle.net/10754/562474
Title:
Point defect engineering strategies to retard phosphorous diffusion in germanium
Authors:
Tahini, H. A.; Chroneos, Alexander I.; Grimes, Robin W.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Bracht, Hartmut A.
Abstract:
The diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Phys. Chem. Chem. Phys.
Issue Date:
2013
DOI:
10.1039/c2cp42973j
Type:
Article
ISSN:
14639076
Sponsors:
This publication was based on research supported by King Abdullah University for Science and Technology (KAUST). HT would like to acknowledge the useful discussions with Dr Samuel Murphy and his help in rendering some of the graphics in this publication. AC acknowledges financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631. Computing resources were provided by the Shaheen supercomputer at KAUST (http://www.hpc.kaust.edu.sa/) and the High Performance Computing (HPC) facility of Imperial College London (http://www3.imperial.ac.uk/ict/services/highperformancecomputing).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorTahini, H. A.en
dc.contributor.authorChroneos, Alexander I.en
dc.contributor.authorGrimes, Robin W.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorBracht, Hartmut A.en
dc.date.accessioned2015-08-03T10:39:32Zen
dc.date.available2015-08-03T10:39:32Zen
dc.date.issued2013en
dc.identifier.issn14639076en
dc.identifier.doi10.1039/c2cp42973jen
dc.identifier.urihttp://hdl.handle.net/10754/562474en
dc.description.abstractThe diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.en
dc.description.sponsorshipThis publication was based on research supported by King Abdullah University for Science and Technology (KAUST). HT would like to acknowledge the useful discussions with Dr Samuel Murphy and his help in rendering some of the graphics in this publication. AC acknowledges financial support from the EU FP7-PEOPLE-2010-IEF project REACT-273631. Computing resources were provided by the Shaheen supercomputer at KAUST (http://www.hpc.kaust.edu.sa/) and the High Performance Computing (HPC) facility of Imperial College London (http://www3.imperial.ac.uk/ict/services/highperformancecomputing).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titlePoint defect engineering strategies to retard phosphorous diffusion in germaniumen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalPhys. Chem. Chem. Phys.en
dc.contributor.institutionDepartment of Materials, Imperial College London, London SW7 2AZ, United Kingdomen
dc.contributor.institutionMaterials Engineering, Open University, Milton Keynes MK7 6AA, United Kingdomen
dc.contributor.institutionInstitute of Materials Physics, University of Münster, Wilhelm-Klemm-Strasse 10, D-48149 Muenster, Germanyen
kaust.authorSchwingenschlögl, Udoen
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