Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure

Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure

The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:地球科学学刊：英文版 2013 (1), p.57-64
1. Verfasser: 吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平
Format: Artikel
Sprache:eng
Schlagworte:
压缩系数
可压缩性
密度泛函理论方法
晶胞参数
结构性能
结构性质
翡翠
高压力
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 64
container_issue 1
container_start_page 57
container_title 地球科学学刊：英文版
container_volume
creator 吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平
description The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPal, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was con- sidered in order to obtain the bulk modulus K0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.
format Article
fullrecord <record><control><sourceid>chongqing</sourceid><recordid>TN_cdi_chongqing_primary_44768766</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><cqvip_id>44768766</cqvip_id><sourcerecordid>44768766</sourcerecordid><originalsourceid>FETCH-chongqing_primary_447687663</originalsourceid><addsrcrecordid>eNqNjLEOgjAURRujiUT5h7pLQqFpuxqiQQdDogMbqVDgGaDYloG_l8EP8C7nDCd3hTwiGA8IIfl6ccZpQAXPt8i39h0uiyMuCPdQluh-NMpaeEEHbsZyqPDDmal0k5EdzowelXGgLNY1vslKgVNHfJen6wOikGHpcApNu4TLyWTUHm1q2Vnl_7hDh8v5maRB2eqh-cDQFKOBXpq5oJQzwRmL_2m-1gc_LQ</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure</title><source>Springer Nature - Complete Springer Journals</source><source>Alma/SFX Local Collection</source><creator>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</creator><creatorcontrib>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</creatorcontrib><description>The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPal, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was con- sidered in order to obtain the bulk modulus K0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.</description><identifier>ISSN: 1674-487X</identifier><identifier>EISSN: 1867-111X</identifier><language>eng</language><subject>压缩系数 ; 可压缩性 ; 密度泛函理论方法 ; 晶胞参数 ; 结构性能 ; 结构性质 ; 翡翠 ; 高压力</subject><ispartof>地球科学学刊：英文版, 2013 (1), p.57-64</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://image.cqvip.com/vip1000/qk/84134A/84134A.jpg</thumbnail><link.rule.ids>314,776,780,4009</link.rule.ids></links><search><creatorcontrib>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</creatorcontrib><title>Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure</title><title>地球科学学刊：英文版</title><addtitle>JOURNAL OF EARTH SCIENCE</addtitle><description>The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPal, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was con- sidered in order to obtain the bulk modulus K0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.</description><subject>压缩系数</subject><subject>可压缩性</subject><subject>密度泛函理论方法</subject><subject>晶胞参数</subject><subject>结构性能</subject><subject>结构性质</subject><subject>翡翠</subject><subject>高压力</subject><issn>1674-487X</issn><issn>1867-111X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNqNjLEOgjAURRujiUT5h7pLQqFpuxqiQQdDogMbqVDgGaDYloG_l8EP8C7nDCd3hTwiGA8IIfl6ccZpQAXPt8i39h0uiyMuCPdQluh-NMpaeEEHbsZyqPDDmal0k5EdzowelXGgLNY1vslKgVNHfJen6wOikGHpcApNu4TLyWTUHm1q2Vnl_7hDh8v5maRB2eqh-cDQFKOBXpq5oJQzwRmL_2m-1gc_LQ</recordid><startdate>2013</startdate><enddate>2013</enddate><creator>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</creator><scope>2RA</scope><scope>92L</scope><scope>CQIGP</scope><scope>W94</scope><scope>~WA</scope></search><sort><creationdate>2013</creationdate><title>Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure</title><author>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-chongqing_primary_447687663</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>压缩系数</topic><topic>可压缩性</topic><topic>密度泛函理论方法</topic><topic>晶胞参数</topic><topic>结构性能</topic><topic>结构性质</topic><topic>翡翠</topic><topic>高压力</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</creatorcontrib><collection>中文科技期刊数据库</collection><collection>中文科技期刊数据库-CALIS站点</collection><collection>中文科技期刊数据库-7.0平台</collection><collection>中文科技期刊数据库-自然科学</collection><collection>中文科技期刊数据库- 镜像站点</collection><jtitle>地球科学学刊：英文版</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>吴秀玲 樊孝玉 秦霏 孟大维 张晓玲 陈龙 刘卫平 郑建平</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure</atitle><jtitle>地球科学学刊：英文版</jtitle><addtitle>JOURNAL OF EARTH SCIENCE</addtitle><date>2013</date><risdate>2013</risdate><issue>1</issue><spage>57</spage><epage>64</epage><pages>57-64</pages><issn>1674-487X</issn><eissn>1867-111X</eissn><abstract>The structural properties of jadeite at high pressures （0.000 1-30 GPa） are investigated using plane-wave pseudopotential density functional theory method. As a function of pressure, the monoclinic cell parameters were calculated and the compressibility coefficients are 0.002 6, 0.002 3 and 0.002 6 GPal, respectively. The bond length, bond angle and distortion variation were studied in order to obtain the information of polyhedral compression. The pressure-volume equation of state was con- sidered in order to obtain the bulk modulus K0. Comparison between the calculated K0 values and the experimental data suggested that the model provides reasonable insights into crystallographic and physical properties of jadeite.</abstract></addata></record>
fulltext fulltext
identifier ISSN: 1674-487X
ispartof 地球科学学刊：英文版, 2013 (1), p.57-64
issn 1674-487X
1867-111X
language eng
recordid cdi_chongqing_primary_44768766
source Springer Nature - Complete Springer Journals; Alma/SFX Local Collection
subjects 压缩系数
可压缩性
密度泛函理论方法
晶胞参数
结构性能
结构性质
翡翠
高压力
title Compressibility and Structural Properties of Jadeite, NaAISi206 at High Pressure
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-23T15%3A10%3A29IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-chongqing&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Compressibility%20and%20Structural%20Properties%20of%20Jadeite,%20NaAISi206%20at%20High%20Pressure&rft.jtitle=%E5%9C%B0%E7%90%83%E7%A7%91%E5%AD%A6%E5%AD%A6%E5%88%8A%EF%BC%9A%E8%8B%B1%E6%96%87%E7%89%88&rft.au=%E5%90%B4%E7%A7%80%E7%8E%B2%20%E6%A8%8A%E5%AD%9D%E7%8E%89%20%E7%A7%A6%E9%9C%8F%20%E5%AD%9F%E5%A4%A7%E7%BB%B4%20%E5%BC%A0%E6%99%93%E7%8E%B2%20%E9%99%88%E9%BE%99%20%E5%88%98%E5%8D%AB%E5%B9%B3%20%E9%83%91%E5%BB%BA%E5%B9%B3&rft.date=2013&rft.issue=1&rft.spage=57&rft.epage=64&rft.pages=57-64&rft.issn=1674-487X&rft.eissn=1867-111X&rft_id=info:doi/&rft_dat=%3Cchongqing%3E44768766%3C/chongqing%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rft_cqvip_id=44768766&rfr_iscdi=true