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J-GLOBAL ID：201702237285311122   Reference number：17A0263010

First-principles Study on Direct Phase Transition of Pca21 TiO_2 under High Pressure

高圧下でのPCA21相のTIO_2直接相転移の第一原理研究【JST・京大機械翻訳】
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Author (5)：
Dong Haikuan

About Dong Haikuan

(School of Mathematics and Physics,Bohai University)

About School of Mathematics and Physics,Bohai University

, 
Qi Yihui

About Qi Yihui

(School of Materials Science and Engineering,Liaoning University of Technology)

About School of Materials Science and Engineering,Liaoning University of Technology

, 
Gao Yajun

About Gao Yajun

(School of Mathematics and Physics,Bohai University)

About School of Mathematics and Physics,Bohai University

, 
Xiu Xiaoming

About Xiu Xiaoming

(School of Mathematics and Physics,Bohai University)

About School of Mathematics and Physics,Bohai University

, 
Shi Libin

About Shi Libin

(School of Mathematics and Physics,Bohai University)

About School of Mathematics and Physics,Bohai University


Material：
Rengong Jingti Xuebao  (Jinko Shotai Gakuho)

About Rengong Jingti Xuebao


Volume： 45  Issue： 11  Page： 2711-2716  Publication year： 2016 
JST Material Number： W0398A  ISSN： 1000-985X  CODEN： RJXUEN  Document type： Article
Article type： 原著論文  Country of issue： China (CHN)  Language： CHINESE (ZH)
Abstract/Point：
Abstract/Point
Japanese summary of the article(about several hundred characters).
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Thesaurus term：
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decompression

About decompression

, 
*phase transition

About phase transition

, 
crystal structure

About crystal structure

, 
equation of state

About equation of state

, 
*first principle

About first principle

, 
optimization

About optimization

, 
enthalpy

About enthalpy

, 
*high pressure

About high pressure

, 
fluorite

About fluorite

, 
rutile

About rutile


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
蛍石型構造

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, 
GGA+U

About GGA+U

, 【Automatic Indexing@JST】
Author keywords (3)：
the first principles

About the first principles

, 
TiO_2

About TiO_2

, 
phase transition

About phase transition

JST classification (1)：
JST classification
Category name(code) classified by JST.
Mechanical properties of solids in general 
(BL01021C)

About Mechanical properties of solids in general

Terms in the title (4)：
Terms in the title
Keywords automatically extracted from the title.
高圧

About 高圧

, 
相転移

About 相転移

, 
第一原理

About 第一原理

, 
研究

About 研究


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