Show simple item record

dc.contributor.advisorKoskinen, Pekka
dc.contributor.authorPihlajamäki, Antti
dc.date.accessioned2018-02-16T05:40:33Z
dc.date.available2018-02-16T05:40:33Z
dc.date.issued2018
dc.identifier.otheroai:jykdok.linneanet.fi:1857830
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/57087
dc.description.abstractSingle-layer black phosphorus or phosphorene is a two-dimensional material made from a puckered honeycomb structure. It is a semiconductor with a tunable band gap and both its mechanical and electronic properties are highly asymmetric because of the puckering. Recently there has been numerous computational studies and some experimental works trying to bring deeper understanding about this relatively new 2D material. In this study we simulate phosphorene using computationally low-cost density functional tight-binding (DFTB) method to see how stretching, shearing and bending affect its electronic properties. The band structure analysis shows that there is a relation between shearing and bending. This discovery is a confirmation for the relation between earlier theoretical predictions concerning bending and the computational results about shearing.en
dc.format.extent1 verkkoaineisto (63 sivua)
dc.language.isoeng
dc.rightsJulkaisu on tekijänoikeussäännösten alainen. Teosta voi lukea ja tulostaa henkilökohtaista käyttöä varten. Käyttö kaupallisiin tarkoituksiin on kielletty.fi
dc.rightsThis publication is copyrighted. You may download, display and print it for Your own personal use. Commercial use is prohibited.en
dc.subject.otherPhosphorene
dc.subject.otherDFTB
dc.subject.otherband structure
dc.subject.otherbending
dc.subject.othershear
dc.titleDensity-functional tight-binding modeling of electromechanics of phosphorene
dc.identifier.urnURN:NBN:fi:jyu-201802161504
dc.type.ontasotPro gradufi
dc.type.ontasotMaster's thesisen
dc.contributor.tiedekuntaMatemaattis-luonnontieteellinen tiedekuntafi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.yliopistoUniversity of Jyväskyläen
dc.contributor.yliopistoJyväskylän yliopistofi
dc.date.updated2018-02-16T05:40:33Z
dc.rights.accesslevelopenAccessfi
dc.contributor.oppiainekoodi4033
dc.subject.ysofosfori


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record