Article(id=1322612233780187245, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322612228126265395, articleNumber=null, orderNo=null, doi=10.14062/j.issn.0454-5648.20190552, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=1565020800000, receivedDateStr=2019-08-06, revisedDate=1568563200000, revisedDateStr=2019-09-16, acceptedDate=null, acceptedDateStr=null, onlineDate=1793264929480, onlineDateStr=2026-10-29, pubDate=1587312000000, pubDateStr=2020-04-20, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1793264929480, onlineIssueDateStr=2026-10-29, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1793264929480, creator=13701087609, updateTime=1793264929480, updator=13701087609, issue=Issue{id=1322612228126265395, tenantId=1146029695717560320, journalId=1263187385517883426, year='2020', volume='48', issue='4', pageStart='463', pageEnd='614', issueExtLink='null', onlineDate='null', pubDate='1587312000000', pubDateStr='2020-04-20', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1793264928132, creator='13701087609', updateTime=1793276729826, updator='13701087609', preIssue=null, nextIssue=null, articleTotal=null, ext={EN=IssueExt(id=1322661728073138752, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322612228126265395, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1322661728073138753, tenantId=1146029695717560320, journalId=1263187385517883426, issueId=1322612228126265395, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null, downloadFileDto=null}, startPage=507, endPage=513, ext={EN=ArticleExt(id=1322612234203811950, articleId=1322612233780187245, tenantId=1146029695717560320, journalId=1263187385517883426, language=EN, title=First-Principles Investigation of GaInSe₂ Monolayer as a Janus Material, columnId=null, journalTitle=Journal of the Chinese Ceramic Society, columnName=null, runingTitle=null, highlight=null, articleAbstract=

The stable GaInSe₂ monolayer as a Janus structure with an indirect band-gap was investigated via first-principles electronic structure calculations. The intrinsic correlation between GaInSe₂ monolayer and its binary analogues (GaSe and InSe monolayers) was investigated in terms of atomic structure and electronic property. The calculation results of atomic structure and phonon frequency dispersion indicate that GaInSe₂ monolayer has a dynamically stable Janus structure with the similar hexagonal geometry as GaSe and InSe monolayers. The electronic band structures show that GaInSe₂ monolayer and its binary analogues are all indirect band-gap semiconductors. It is noted from the strained Janus model that work functions and coherent strains of GaSe and InSe constituents essentially determine the electronic structure of GaInSe₂ monolayer. GaInSe₂ monolayer can be converted into direct band-gap semiconductor when the strain in atomic plane is decreased less than a critical value. Therefore, GaInSe₂ monolayer can be applied to 2-dimensional or surface photoelectric materials under the mechanical conditions below the critical strain. Further, the band-edge character and band-gap width can be effectively controlled by modifying the strains in atomic plane of GaInSe₂ monolayer, which is of great significance for the potential application in field effect nanotransistors.

, authors=Xianda XU, Weifeng SUN, authorsList=Xianda XU, Weifeng SUN, authorCompany=null, correspAuthors=Weifeng SUN, authorNote=, correspAuthorsNote=, 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=1322612234627436655, articleId=1322612233780187245, tenantId=1146029695717560320, journalId=1263187385517883426, language=CN, title=单层Janus材料GaInSe₂的电子结构第一原理计算, columnId=null, journalTitle=硅酸盐学报, columnName=, runingTitle=null, highlight=null, articleAbstract=

按照第一原理赝势平面波方法研究具有稳定间接带隙的单层Janus二维半导体GaInSe₂的电子结构，探讨构建Janus结构的单层GaSe和InSe与GaInSe₂的结构和电子性质之间的内禀关系。原子结构和声子色散谱的计算结果证明单层GaInSe₂与GaSe和InSe有着相似的六边形几何构型，具有动态稳定的Janus结构。电子能带结构表明GaInSe₂与其二元类似物GaSe和InSe都是间接带隙半导体，GaSe和InSe之间的应变和功函数决定了单层GaInSe₂电子结构的基本特征。当原子层平面方向上的应变小于临界值时，单层GaInSe₂可转化为直接带隙半导体。因此，在应变小于临界应变的力学条件下，单层GaInSe₂可用作二维或表面光电材料。此外，通过调节层平面方向上的应变，可以有效地控制GaInSe₂能带的带边特性和带隙宽度，这对于场效应晶体管的潜在应用具有重要意义。

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XU Xianda (1994-), male, Master candidate. E-mail: xuxianda1994@126.com

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XU Xianda (1994-), male, Master candidate. E-mail: xuxianda1994@126.com

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徐贤达（1994—），男，硕士。

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徐贤达（1994—），男，硕士。

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