Article(id=1323357837467984182, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1323357810574106741, articleNumber=null, orderNo=null, doi=null, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1082476800000, receivedDateStr=2004-04-21, revisedDate=1088524800000, revisedDateStr=2004-06-30, acceptedDate=null, acceptedDateStr=null, onlineDate=1793442695251, onlineDateStr=2026-10-31, pubDate=1109952000000, pubDateStr=2005-03-05, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793442695251, onlineIssueDateStr=2026-10-31, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793442695251, creator=13701087609, updateTime=1793442695251, updator=13701087609, issue=Issue{id=1323357810574106741, tenantId=1146029695717560320, journalId=1255847867265597444, year='2005', volume='19', issue='1', pageStart='1', pageEnd='96', issueExtLink='null', onlineDate='null', pubDate='1109952000000', pubDateStr='2005-03-05', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1793442688840, creator='13701087609', updateTime=1793442883497, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1323358627142173156, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1323357810574106741, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1323358627142173157, tenantId=1146029695717560320, journalId=1255847867265597444, issueId=1323357810574106741, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=5, endPage=9, ext={EN=ArticleExt(id=1323357837656727863, articleId=1323357837467984182, tenantId=1146029695717560320, journalId=1255847867265597444, language=EN, title=Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect, columnId=null, journalTitle=Chinese Journal of High Pressure Physics, columnName=null, runingTitle=null, highlight=null, articleAbstract=

The pressure effects on the band structure of bcc lithium with substitutional hydrogen defect are studied by using ab initio pseudopotential-plane wave method at 0 K temperature. Even though the impurity hydrogen atom localizes a free electron in the sea of metallic valence electrons, the doped system still acts as metal, but an isolated band and a band gap appear under Fermi level, the lowest metallic band is distorted at Gamma point, and elsewhere in other conduction and valence bands. When pressures applied on the system, the band gap is widened and the isolated band tends to be stretched horizontally into a line, just like an energy level.

, authors=Zhi-Ming LIU1, Tian CUI1, Wen-Jiong HE1, Guang-Tian ZOU1, Meng-Fu WEI2, Chang-An CHEN2, authorsList=Zhi-Ming LIU, Tian CUI, Wen-Jiong HE, Guang-Tian ZOU, Meng-Fu WEI, Chang-An CHEN, authorCompany=null, correspAuthors=Tian CUI, authorNote=null, correspAuthorsNote=null, copyrightStatement=null, copyrightOwner=null, extLink=null, articleAbsUrl=null, sourceXml=null, magXml=null, pdfUrl=null, pdf=null, pdfFileSize=null, pdfExtLink=null, richHtmlUrl=null, mobilePdfUrl=null, reviewReport=null, pdfFirstPage=null, abstractGraph=null, abstractGraphContent=null, abstractVideo=null, citation=null, cebUrl=null, magXmlContent=null, mapNumber=null, fund=null), CN=ArticleExt(id=1323357838197793080, articleId=1323357837467984182, tenantId=1146029695717560320, journalId=1255847867265597444, language=CN, title=压力下替位氢对金属锂能带结构的影响, columnId=0, journalTitle=高压物理学报, columnName=, runingTitle=null, highlight=null, articleAbstract=

利用第一原理的平面波-赝势密度泛函方法,研究了零温下体心立方(bcc)金属锂由于氢的替位掺杂和外界压力的改变所引起的电子结构变化。结果表明:掺杂体系仍然呈金属性,但是由于氢原子俘获了一个金属自由电子,具有了离子属性,使得费米面以下出现了孤立能带和带隙,最低金属价带偏离了自由电子带,形成鞍型带底,其它价带和导带均出现不同程度的简并解除和带型畸变。在压力的作用下,带隙加宽,费米面下的孤立带趋向于一条直线,成为一条能级。

, authors=刘志明1, 崔田1, 何文炯1, 邹广田1, 韦孟伏2, 陈长安2, authorsList=刘志明, 崔田, 何文炯, 邹广田, 韦孟伏, 陈长安, authorCompany=null, correspAuthors=崔田, authorNote=

刘志明(1965—),男,硕士研究生.

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崔田,教授,博士研究生导师,主要研究方向为凝聚态理论与计算机模拟. E-mail:
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压力下替位氢对金属锂能带结构的影响
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刘志明 1 , 崔田 1 , 何文炯 1 , 邹广田 1 , 韦孟伏 2 , 陈长安 2
高压物理学报 | 2005,19(1): 5-9
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高压物理学报 | 2005 , 19 (1) : 5 -9
压力下替位氢对金属锂能带结构的影响
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刘志明1, 崔田1 , 何文炯1, 邹广田1, 韦孟伏2, 陈长安2
作者信息
  • 1.吉林大学超硬材料国家重点实验室,吉林 长春 130012
  • 2.中国工程物理研究院,四川 绵阳 621900
通讯作者:
崔田,教授,博士研究生导师,主要研究方向为凝聚态理论与计算机模拟. E-mail:
作者简介:

刘志明(1965—),男,硕士研究生.

Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect
Zhi-Ming LIU1, Tian CUI1 , Wen-Jiong HE1, Guang-Tian ZOU1, Meng-Fu WEI2, Chang-An CHEN2
Affiliations
  • 1.National Laboratory of Superhard Material, Jilin University, Changchun 130012, China
  • 2.China Academy of Engineering Physics, Mianyang 621900, China
出版时间: 2005-03-05
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利用第一原理的平面波-赝势密度泛函方法,研究了零温下体心立方(bcc)金属锂由于氢的替位掺杂和外界压力的改变所引起的电子结构变化。结果表明:掺杂体系仍然呈金属性,但是由于氢原子俘获了一个金属自由电子,具有了离子属性,使得费米面以下出现了孤立能带和带隙,最低金属价带偏离了自由电子带,形成鞍型带底,其它价带和导带均出现不同程度的简并解除和带型畸变。在压力的作用下,带隙加宽,费米面下的孤立带趋向于一条直线,成为一条能级。

第一性原理  /  能带结构  /  压力效应  /  杂质  /  金属锂

The pressure effects on the band structure of bcc lithium with substitutional hydrogen defect are studied by using ab initio pseudopotential-plane wave method at 0 K temperature. Even though the impurity hydrogen atom localizes a free electron in the sea of metallic valence electrons, the doped system still acts as metal, but an isolated band and a band gap appear under Fermi level, the lowest metallic band is distorted at Gamma point, and elsewhere in other conduction and valence bands. When pressures applied on the system, the band gap is widened and the isolated band tends to be stretched horizontally into a line, just like an energy level.

ab initio  /  band structure  /  pressure effect  /  impurity  /  lithium
刘志明, 崔田, 何文炯, 邹广田, 韦孟伏, 陈长安. 压力下替位氢对金属锂能带结构的影响. 高压物理学报, 2005 , 19 (1) : 5 -9 .
Zhi-Ming LIU, Tian CUI, Wen-Jiong HE, Guang-Tian ZOU, Meng-Fu WEI, Chang-An CHEN. Pressure Effects on the Band Structure of BCC Lithiumwith Substitutional Hydrogen Defect[J]. Chinese Journal of High Pressure Physics, 2005 , 19 (1) : 5 -9 .
  • 国家自然科学基金委员会-中国工程物理研究院联合资助项目(10276016)
  • 吉林大学创新基金
  • 2003年度教育部优秀青年教师资助计划
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2005年第19卷第1期
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  • 接收时间:2004-04-21
  • 首发时间:2026-10-31
  • 出版时间:2005-03-05
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出版历史
  • 收稿日期:2004-04-21
  • 修回日期:2004-06-30
基金
国家自然科学基金委员会-中国工程物理研究院联合资助项目(10276016)
吉林大学创新基金
2003年度教育部优秀青年教师资助计划
作者信息
    1.吉林大学超硬材料国家重点实验室,吉林 长春 130012
    2.中国工程物理研究院,四川 绵阳 621900

通讯作者:

崔田,教授,博士研究生导师,主要研究方向为凝聚态理论与计算机模拟. E-mail:
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2种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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