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dc.contributor.authorLiu, Guangtao
dc.contributor.authorYu, Zhenhai
dc.contributor.authorLiu, Hanyu
dc.contributor.authorRedfern, Simon AT
dc.contributor.authorFeng, Xiaolei
dc.contributor.authorLi, Xin
dc.contributor.authorYuan, Ye
dc.contributor.authorYang, Ke
dc.contributor.authorHirao, Naohisa
dc.contributor.authorKawaguchi, Saori Imada
dc.contributor.authorLi, Xiaodong
dc.contributor.authorWang, Lin
dc.contributor.authorMa, Yanming
dc.date.accessioned2018-12-08T00:30:57Z
dc.date.available2018-12-08T00:30:57Z
dc.date.issued2018-10-04
dc.identifier.issn1948-7185
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/286527
dc.description.abstractIn the past decade, the group V-VI compounds have been widely investigated due to their excellent properties and applications. It is now accepted that diverse stoichiometry can yield new compounds with unanticipated properties, uncovering potentially new physicochemical mechanisms. However, in this group, aside from the conventional A2B3-type, no other energetically stable stoichiometry has been reported yet. Here, we report that Bi2S3 is unstable and decomposes into stoichiometric BiS2 and BiS with different Bi valence states upon compression. Encouragingly, we successfully synthesized the predicted BiS2 phase and thus, confirmed its existence. Our current calculations reveal that the found BiS2 phase is a semimetal, associated with the increased concentration of nonmetallic S. The present results represent the first counterintuitive stable stoichiometry of group V-VI and provide a good example in designing and synthesizing new compounds under compression.
dc.format.mediumPrint-Electronic
dc.languageeng
dc.publisherAmerican Chemical Society (ACS)
dc.titleUnexpected Semimetallic BiS2 at High Pressure and High Temperature.
dc.typeArticle
prism.endingPage5791
prism.issueIdentifier19
prism.publicationDate2018
prism.publicationNameJ Phys Chem Lett
prism.startingPage5785
prism.volume9
dc.identifier.doi10.17863/CAM.33837
rioxxterms.versionofrecord10.1021/acs.jpclett.8b02004
rioxxterms.versionAM
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2018-10
dc.contributor.orcidLiu, Guangtao [0000-0003-2332-115X]
dc.contributor.orcidRedfern, Simon AT [0000-0001-9513-0147]
dc.contributor.orcidLi, Xiaodong [0000-0002-2290-1198]
dc.contributor.orcidWang, Lin [0000-0003-2931-7629]
dc.identifier.eissn1948-7185
rioxxterms.typeJournal Article/Review
cam.issuedOnline2018-09-20
rioxxterms.freetoread.startdate2019-10-31


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