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Title: Luminescence of Mn4+ in the Orthorhombic Perovskites, ASnO3 (A=Ca, Sr)

Abstract

The aim of this paper is to provide a comparative study of the spectroscopic properties of Mn4+ (3d3) ion in the orthorhombic perovskites, ASnO3 (A=Ca, Sr). The most significant parameter controlling the energy of the zero-phonon line (2E→4A2 transition) is the deviation of the octahedral O-Mn-O bond angle from the ideal 900 value. It is significant that despite the longer Sn4+-O2- bond distance, the crystal field strength (10 Dq) in CaSnO3 is higher than that of SrSnO3. We discuss this result in relation to the perovskite crystal chemistry. Mulliken population analysis and bond order calculation are made to clarify the nature of chemical bonding in the stannate perovskites.

Authors:
ORCiD logo; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office; National Recruitment Program of High-end Foreign Experts; Programme for the Foreign Experts; Chongqing University of Posts and Telecommunications (CQUPT); Estonian Research Council; European Regional Development Fund (ERDF)
OSTI Identifier:
1566901
Alternate Identifier(s):
OSTI ID: 1635082
Report Number(s):
LLNL-JRNL-808457
Journal ID: ISSN 2162-8769; /jss/9/1/016009.atom
Grant/Contract Number:  
AC52-07NA27344; AC02-07CH11358; GDT20185200479; GDW20145200225; W2017011; PUT PRG111
Resource Type:
Published Article
Journal Name:
ECS Journal of Solid State Science and Technology
Additional Journal Information:
Journal Name: ECS Journal of Solid State Science and Technology Journal Volume: 9 Journal Issue: 1; Journal ID: ISSN 2162-8769
Publisher:
Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Srivastava, A. M., Brik, M. G., Comanzo, H. A., Beers, W. W., Cohen, W., Cherepy, N., and Payne, S. A. Luminescence of Mn4+ in the Orthorhombic Perovskites, ASnO3 (A=Ca, Sr). United States: N. p., 2019. Web. https://doi.org/10.1149/2.0132001JSS.
Srivastava, A. M., Brik, M. G., Comanzo, H. A., Beers, W. W., Cohen, W., Cherepy, N., & Payne, S. A. Luminescence of Mn4+ in the Orthorhombic Perovskites, ASnO3 (A=Ca, Sr). United States. https://doi.org/10.1149/2.0132001JSS
Srivastava, A. M., Brik, M. G., Comanzo, H. A., Beers, W. W., Cohen, W., Cherepy, N., and Payne, S. A. Thu . "Luminescence of Mn4+ in the Orthorhombic Perovskites, ASnO3 (A=Ca, Sr)". United States. https://doi.org/10.1149/2.0132001JSS.
@article{osti_1566901,
title = {Luminescence of Mn4+ in the Orthorhombic Perovskites, ASnO3 (A=Ca, Sr)},
author = {Srivastava, A. M. and Brik, M. G. and Comanzo, H. A. and Beers, W. W. and Cohen, W. and Cherepy, N. and Payne, S. A.},
abstractNote = {The aim of this paper is to provide a comparative study of the spectroscopic properties of Mn4+ (3d3) ion in the orthorhombic perovskites, ASnO3 (A=Ca, Sr). The most significant parameter controlling the energy of the zero-phonon line (2E→4A2 transition) is the deviation of the octahedral O-Mn-O bond angle from the ideal 900 value. It is significant that despite the longer Sn4+-O2- bond distance, the crystal field strength (10 Dq) in CaSnO3 is higher than that of SrSnO3. We discuss this result in relation to the perovskite crystal chemistry. Mulliken population analysis and bond order calculation are made to clarify the nature of chemical bonding in the stannate perovskites.},
doi = {10.1149/2.0132001JSS},
journal = {ECS Journal of Solid State Science and Technology},
number = 1,
volume = 9,
place = {United States},
year = {2019},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1149/2.0132001JSS

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Figures / Tables:

Figure 1 Figure 1: The low temperature (T = 15 K) excitation spectra of Mn4+ in CaSnO3 (λem = 695 nm; dashed blue line) and SrSnO3 (λem = 702 nm; solid red line).

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.