Computational prediction and experimental confirmation of B-site doping in YBa2Fe3O8-Reference-Cited by-同舟云学术

Computational prediction and experimental confirmation of B-site doping in YBa2Fe3O8

Published:2014 Issue:4 Volume:5 Page:1493-1505
ISSN:2041-6520
Container-title:Chem. Sci.
language:en
Short-container-title:Chem. Sci.

Author:

Collins Christopher¹²³,Dyer Matthew S.¹²³,Demont Antoine¹²³,Chater Philip A.¹²³,Thomas Michael F.⁴²³,Darling George R.¹²³,Claridge John B.¹²³,Rosseinsky Matthew J.¹²³

Affiliation:

1. Department of Chemistry

2. University of Liverpool

3. Liverpool, UK

4. Department of Physics

Abstract

Computational screening of potential substitution species and sites in YBa₂Fe_3−xM_xO₈ predicted that Mn substitution at x = 1 should be possible. Experimental synthesis and characterization of Y_1.175Ba_1.825Fe₂MnO₈ confirms this prediction.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2014/SC/C3SC52734D

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