Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session P11: Dopants and Defects in Semiconductors - Oxides
2:30 PM–5:30 PM,
Wednesday, March 7, 2018
LACC
Room: 303A
Sponsoring
Units:
DMP DCOMP FIAP
Chair: Joel Varley, Lawrence Livermore National Laboratory
Abstract ID: BAPS.2018.MAR.P11.7
Abstract: P11.00007 : Computational search for useful hole-electron dopants in SnO and SnO2*
4:06 PM–4:18 PM
Presenter:
Migle Grauzinyte
(Univ of Basel)
Authors:
Migle Grauzinyte
(Univ of Basel)
Jose Flores Livas
(Univ of Basel)
Stefan A Goedecker
(Univ of Basel)
Due to its multivalent nature tin can be found in both a litharge SnO and a rutile SnO2 structure. With strikingly different properties, tin-dioxide - an important n-type conductor with a band gap in the visible range, and tin-monoxide - a layered intrinsicly p-type material with an indirect band gap of only 0.7 eV, have both shown high potential for industrial thin film applications. However, further improvements in electrical properties are desired. With promising potential for ambipolar doping a thorough large scale dopant search for both stoichiometries of tin oxide is long overdue.
In this talk, I present the results of a full periodic table scan of useful dopants for these technologically important materials. The results of such a large-scale study allows us to comment on the doping trends in tin oxide and place our work in context of the existing experimental reports.
*M.G. acknowledges funding from the Swiss National Science Foundation under the Disco Project (No. CRSII2\_154474).
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.P11.7
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