A Density Functional Theory Study of Doped Tin Monoxide as a Transparent p-type Semiconductor

Handle URI:
http://hdl.handle.net/10754/273094
Title:
A Density Functional Theory Study of Doped Tin Monoxide as a Transparent p-type Semiconductor
Authors:
Bianchi Granato, Danilo
Abstract:
In the pursuit of enhancing the electronic properties of transparent p-type semiconductors, this work uses density functional theory to study the effects of doping tin monoxide with nitrogen, antimony, yttrium and lanthanum. An overview of the theoretical concepts and a detailed description of the methods employed are given, including a discussion about the correction scheme for charged defects proposed by Freysoldt and others [Freysoldt 2009]. Analysis of the formation energies of the defects points out that nitrogen substitutes an oxygen atom and does not provide charge carriers. On the other hand, antimony, yttrium, and lanthanum substitute a tin atom and donate n-type carriers. Study of the band structure and density of states indicates that yttrium and lanthanum improves the hole mobility. Present results are in good agreement with available experimental works and help to improve the understanding on how to engineer transparent p-type materials with higher hole mobilities.
Advisors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Committee Member:
Alshareef, Husam N.; Manchon, Aurelien ( 0000-0002-4768-293X )
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Program:
Materials Science and Engineering
Issue Date:
May-2012
Type:
Thesis
Appears in Collections:
Theses; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program

Full metadata record

DC FieldValue Language
dc.contributor.advisorSchwingenschlögl, Udoen
dc.contributor.authorBianchi Granato, Daniloen
dc.date.accessioned2013-03-16T07:58:53Z-
dc.date.available2013-03-16T07:58:53Z-
dc.date.issued2012-05en
dc.identifier.urihttp://hdl.handle.net/10754/273094en
dc.description.abstractIn the pursuit of enhancing the electronic properties of transparent p-type semiconductors, this work uses density functional theory to study the effects of doping tin monoxide with nitrogen, antimony, yttrium and lanthanum. An overview of the theoretical concepts and a detailed description of the methods employed are given, including a discussion about the correction scheme for charged defects proposed by Freysoldt and others [Freysoldt 2009]. Analysis of the formation energies of the defects points out that nitrogen substitutes an oxygen atom and does not provide charge carriers. On the other hand, antimony, yttrium, and lanthanum substitute a tin atom and donate n-type carriers. Study of the band structure and density of states indicates that yttrium and lanthanum improves the hole mobility. Present results are in good agreement with available experimental works and help to improve the understanding on how to engineer transparent p-type materials with higher hole mobilities.en
dc.language.isoenen
dc.subjectDensity Functional Theoryen
dc.subjectTin monoxideen
dc.subjectTransparent semiconductoren
dc.subjectFormation Energyen
dc.subjectHole mobilityen
dc.titleA Density Functional Theory Study of Doped Tin Monoxide as a Transparent p-type Semiconductoren
dc.typeThesisen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
thesis.degree.grantorKing Abdullah University of Science and Technologyen_GB
dc.contributor.committeememberAlshareef, Husam N.en
dc.contributor.committeememberManchon, Aurelienen
thesis.degree.disciplineMaterials Science and Engineeringen
thesis.degree.nameMaster of Scienceen
dc.person.id113245en
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