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Paper Abstract and Keywords
Presentation 2017-07-21 14:57
Effect of substitution in Ca3Co4O9 on electronic states analyzed by first-principles calculation
Daigo Kobayashi (TUT), Satoru Tanibayashi (NIT, Ichinoseki College), Yuichi Nakamura, Hironaga Uchida, Mitsuteru Inoue (TUT) CPM2017-25
Abstract (in Japanese) (See Japanese page) 
(in English) Layered cobalt oxide Ca3Co4O9 (Co349) is expected to be a good thermoelectric material at high temperature region although its conversion efficiency is no enough high for practical applications. So the improvement of properties has been tried for example by element substitution. Thermoelectric properties such as Seebeck coefficient depend on electronic state, while the effect of substitution on electronic state is not clear. In addition, we usually need to approximate the b-axis's period of Co349 in first-principles analysis because the period in b-direction is very long. In this work, the effect of periodicity of Co349 and the Bi-substitution for Ca site were investigated by first-principles calculation. Consequently our results showed that Bi-substitution didn't affect directly to density of state (DOS) near Fermi level while DOS seemed to be affected by change in carrier and distortion of crystalline structure.
Keyword (in Japanese) (See Japanese page) 
(in English) Thermoelectric material / Layered cobalt oxide / Electronic state / First-principles calculation / / / /  
Reference Info. IEICE Tech. Rep., vol. 117, no. 148, CPM2017-25, pp. 21-26, July 2017.
Paper # CPM2017-25 
Date of Issue 2017-07-14 (CPM) 
ISSN Print edition: ISSN 0913-5685    Online edition: ISSN 2432-6380
Copyright
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reproduction		 All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034)
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Conference Information
Committee CPM  
Conference Date 2017-07-21 - 2017-07-22 
Place (in Japanese) (See Japanese page) 
Place (in English)  
Topics (in Japanese) (See Japanese page) 
Topics (in English)  
Paper Information
Registration To CPM 
Conference Code 2017-07-CPM 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Effect of substitution in Ca3Co4O9 on electronic states analyzed by first-principles calculation 
Sub Title (in English)  
Keyword(1) Thermoelectric material  
Keyword(2) Layered cobalt oxide  
Keyword(3) Electronic state  
Keyword(4) First-principles calculation  
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1st Author's Name Daigo Kobayashi  
1st Author's Affiliation Toyohashi University of Technology (TUT)
2nd Author's Name Satoru Tanibayashi  
2nd Author's Affiliation National Institute of Technology, Ichinoseki College (NIT, Ichinoseki College)
3rd Author's Name Yuichi Nakamura  
3rd Author's Affiliation Toyohashi University of Technology (TUT)
4th Author's Name Hironaga Uchida  
4th Author's Affiliation Toyohashi University of Technology (TUT)
5th Author's Name Mitsuteru Inoue  
5th Author's Affiliation Toyohashi University of Technology (TUT)
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Speaker Author-1 
Date Time 2017-07-21 14:57:00 
Presentation Time 18 minutes 
Registration for CPM 
Paper # CPM2017-25 
Volume (vol) vol.117 
Number (no) no.148 
Page pp.21-26 
#Pages 6 
Date of Issue 2017-07-14 (CPM) 

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