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dc.contributor.advisorAkinwande, Dejien
dc.contributor.advisorLin, Jung-Fuen
dc.creatorNayak Pradeep, Avinashen
dc.date.accessioned2016-07-25T22:08:10Z
dc.date.available2016-07-25T22:08:10Z
dc.date.issued2015-05
dc.date.submittedMay 2015
dc.identifierdoi:10.15781/T26T0GW52en
dc.identifier.urihttp://hdl.handle.net/2152/39226en
dc.description.abstractControlling the band gap by tuning the lattice structure through pressure engineering is a relatively new route for tailoring the optoelectronic properties of two dimensional (2D) materials. Here we investigate the electronic and lattice vibrational dynamics of the distorted monolayer 1T-MoS₂ (1T') and the monolayer 2H-MoS₂ via a diamond anvil cell (DAC) and density functional theory (DFT) calculations. The direct optical band gap of the monolayer 2H-MoS₂ increases by 11.7% from 1.85 eV to 2.08 eV, which is the highest reported for a 2D transition metal dichalcogenide (TMD) material. DFT calculations reveal a subsequent decrease in the band gap with eventual metallization of the monolayer 2H-MoS₂, an overall complex structure-property relation due to the rich band structure of MoS₂. Remarkably, the metastable 1T'-MoS₂ metallic state remains invariant with pressure, with the J₂, A₁[subscript g], and E₂[subscript g] modes becoming dominant at high pressures. This substantial reversible tunability of the electronic and vibrational property of the MoS₂ family can be extended to other 2D TMDs. These results present an important advance toward controlling the band structure and optoelectronic properties of monolayer MoS₂ via pressure, which has vital implications for enhanced device applications.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.subject2D materials
dc.subjectTransition metal dichalcogenide
dc.titlePressure induced structure-property tuning of two dimensional materialsen
dc.typeThesisen
dc.date.updated2016-07-25T22:08:10Z
dc.contributor.committeeMemberWang, Yaguoen
dc.contributor.committeeMemberWang, Zhengen
dc.contributor.committeeMemberHall, Nealen
dc.contributor.committeeMemberDodabalapur, Ananthen
dc.description.departmentElectrical and Computer Engineeringen
thesis.degree.departmentElectrical and Computer Engineeringen
thesis.degree.disciplineElectrical and Computer Engineeringen
thesis.degree.grantorThe University of Texas at Austinen
thesis.degree.levelDoctoralen
thesis.degree.nameDoctor of Philosophyen
dc.type.materialtexten


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