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Anisotropic and plane-selective migration of the carbon vacancy in SiC: Theory and experiment
Univ Oslo, Norway.
Univ Aveiro, Portugal.
Univ Oslo, Norway.
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
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2019 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 100, no 1, article id 014103Article in journal (Refereed) Published
Abstract [en]

We investigate the migration mechanism of the carbon vacancy (V-C) in silicon carbide (SiC) using a combination of theoretical and experimental methodologies. The V-C, commonly present even in state-of-the-art epitaxial SiC material, is known to be a carrier lifetime killer and therefore strongly detrimental to device performance. The desire for V-C removal has prompted extensive investigations involving its stability and reactivity. Despite suggestions from theory that V(C )migrates exclusively on the C sublattice via vacancy-atom exchange, experimental support for such a picture is still unavailable. Moreover, the existence of two inequivalent locations for the vacancy in 4H-SiC [hexagonal, V-C(h), and pseudocubic, V-C(k)] and their consequences for V-C migration have not been considered so far. The first part of the paper presents a theoretical study of V(C )migration in 3C- and 4H-SiC. We employ a combination of nudged elastic band (NEB) and dimer methods to identify the migration mechanisms, transition state geometries, and respective energy barriers for V(C )migration. In 3C-SiC, V-C is found to migrate with an activation energy of E-A = 4.0 eV. In 4H-SiC, on the other hand, we anticipate that V-C migration is both anisotropic and basal-plane selective. The consequence of these effects is a slower diffusivity along the axial direction, with a predicted activation energy of E-A = 4.2 eV, and a striking preference for basal migration within the h plane with a barrier of E-A = 3.7 eV, to the detriment of the k-basal plane. Both effects are rationalized in terms of coordination and bond angle changes near the transition state. In the second part, we provide experimental data that corroborates the above theoretical picture. Anisotropic migration of V-C in 4H-SiC is demonstrated by deep level transient spectroscopy (DLTS) depth profiling of the Z(1/2) electron trap in annealed samples that were subject to ion implantation. Activation energies of E-A = (4.4 +/- 0.3) eV and E-A = (3.6 +/- 0.3) eV were found for V-C migration along the c and a directions, respectively, in excellent agreement with the analogous theoretical values. The corresponding prefactors of D-0 = 0.54 cm(2)/s and 0.017 cm(2)/s are in line with a simple jump process, as expected for a primary vacancy point defect.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2019. Vol. 100, no 1, article id 014103
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-159050DOI: 10.1103/PhysRevB.100.014103ISI: 000474364500002OAI: oai:DiVA.org:liu-159050DiVA, id: diva2:1338423
Note

Funding Agencies|Research Council of Norway; University of Oslo through the frontier research project FUNDAMeNT [251131]; University of Oslo through the Norwegian Micro- and Nanofabrication Facility [NorFAB 245963]; Fundacao para a Ciencia e a Tecnologia (FCT) [UID/CTM/50025/2019]; FEDER funds through the COMPETE 2020 Program; NATO SPS programme [985215]; Swedish Energy Agency Energimyndigheten project [43611-1]; Swedish Government Strategic Research Area in Materials Science (AFM)

Available from: 2019-07-22 Created: 2019-07-22 Last updated: 2019-08-20

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Ul-Hassan, JawadFarkas, Ildiko
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