CaltechAUTHORS
Published March 24, 2014 | Version public
Journal Article Metadata-only

Defect-Controlled Electronic Properties in AZn_2Sb_2 Zintl Phases

Creators

  • 1. ROR icon California Institute of Technology
  • 2. ROR icon Brown University

Abstract

Experimentally, AZn_2Sb_2 samples (A=Ca, Sr, Eu, Yb) are found to have large charge carrier concentrations that increase with increasing electronegativity of A. Using density functional theory (DFT) calculations, we show that this trend can be explained by stable cation vacancies and the corresponding finite phase width in A1−xZn_2Sb_2 compounds.

Additional Information

© 2014 Wiley-VCH Verlag GmbH & Co. Received: December 21, 2013. Article first published online: 24 Feb 2014.

Additional details

Identifiers

Eprint ID
44119
DOI
10.1002/anie.201311125
Resolver ID
CaltechAUTHORS:20140304-095300329

Dates

Created
2014-03-04
Created from EPrint's datestamp field
Updated
2023-01-19
Created from EPrint's last_modified field