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Ab initio investigation of phosphorus and boron diffusion in germanium
University of Exeter.
University of Exeter.
University of Aveiro.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
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2008 (English)In: Materials Science in Semiconductor Processing, ISSN 1369-8001, E-ISSN 1873-4081, Vol. 11, no 5, p. 324-327Article in journal (Refereed) Published
Abstract [en]

P and B diffusion has been modeled in Ge using ab initio methods along with the formation energies and electrical levels of various PV defects expected to be important in the deactivation of P in heavily n-doped Ge. The calculated activation barrier for B diffusion is found to be substantially lower than the measured barrier. However, the exceptionally large pre-exponential factor in the measured diffusivity points to a Meyer-Neldel rule operating and accounting for the discrepancy. The magnitude of the theoretical diffusivity is about a factor 10 lower than observed. For P diffusion, the experimental and theoretical results are in much closer agreement. The formation energy calculations show that all PV clusters are stable with respect to their component defects, and all but P V are predicted to introduce acceptor levels into the band gap. A simple analysis of possible formation mechanisms and Coulombic contributions suggests that as in Si, P V is the most important compensating center in heavily n-doped Ge.

Place, publisher, year, edition, pages
2008. Vol. 11, no 5, p. 324-327
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-6559DOI: 10.1016/j.mssp.2008.07.002ISI: 000271700600035Scopus ID: 2-s2.0-70349781259Local ID: 4cb86860-734e-11dd-a60f-000ea68e967bOAI: oai:DiVA.org:ltu-6559DiVA, id: diva2:979445
Note
Validerad; 2009; Bibliografisk uppgift: E-MRS 2008 Spring Conference Symposium J: Beyond Silicon Technology: Materials and Devices for Post-Si CMOS; 20080826 (ysko)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Öberg, Sven

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