Lone-Pair Stabilization in Transparent Amorphous Tin Oxides: A Potential Route to p-Type Conduction Pathways
OA Location
Author(s)
Type
Journal Article
Abstract
The electronic and atomic structures of amorphous transparent tin oxides have been investigated by a combination of X-ray spectroscopy and atomistic calculations. Crystalline SnO is a promising p-type transparent oxide semiconductor due to a complex lone-pair hybridization that affords both optical transparency despite a small electronic band gap and spherical s-orbital character at the valence band edge. We find that both of these desirable properties (transparency and s-orbital valence band character) are retained upon amorphization despite the disruption of the layered lone-pair states by structural disorder. We explain the anomalously large band gap widening necessary to maintain transparency in terms of lone-pair stabilization via atomic clustering. Our understanding of this mechanism suggests that continuous hole conduction pathways along extended lone pair clusters should be possible under certain stoichiometries. Moreover, these findings should be applicable to other lone-pair active semiconductors.
Date Issued
2016-07-12
Date Acceptance
2016-06-08
Citation
Chemistry of Materials, 2016, 28 (13), pp.4706-4713
ISSN
1520-5002
Publisher
American Chemical Society
Start Page
4706
End Page
4713
Journal / Book Title
Chemistry of Materials
Volume
28
Issue
13
Copyright Statement
© 2016 American Chemical Society
Subjects
Science & Technology
Physical Sciences
Technology
Chemistry, Physical
Materials Science, Multidisciplinary
Chemistry
Materials Science
ROOM-TEMPERATURE FABRICATION
THIN-FILM TRANSISTORS
AUGMENTED-WAVE METHOD
SEMICONDUCTOR
CUALO2
SNO
MONOXIDE
Materials
03 Chemical Sciences
09 Engineering
Publication Status
Published
Date Publish Online
2016-06-08