Title:
Properties of two-dimensional materials grown on metal substrates

dc.contributor.advisor Chou, Mei-Yin
dc.contributor.advisor Landman, Uzi
dc.contributor.author Pan, Chi-Ruei
dc.contributor.committeeMember First, Phillip N.
dc.contributor.committeeMember Mourigal, Martin
dc.contributor.committeeMember Jang, Seung Soon
dc.contributor.department Physics
dc.date.accessioned 2020-05-20T16:46:45Z
dc.date.available 2020-05-20T16:46:45Z
dc.date.created 2019-05
dc.date.issued 2019-03-29
dc.date.submitted May 2019
dc.date.updated 2020-05-20T16:46:46Z
dc.description.abstract Supercell models are proposed to investigate the properties of three types of heterostructures formed by two-dimensional (2D) materials grown on metal substrates, including (1) silicon (Si) thin films on a silver (Ag) substrate; (2) a single-layer hexagonal boron nitride (h-BN) on ruthenium (Ru) and copper (Cu) substrates; and (3) a stacked combination of lead (Pb) and Ag thin films. Coverage, orbital hybridization, and interface conditions are studied in order to tailor the electronic properties of these heterostructures. For the first system, results show that a Si coverage beyond 2.5 ML is needed for the emergence of the nearly linear energy-momentum relation. This relation is associated with the electronic states induced by the interaction between surface Si and Ag. For the second system, results demonstrate that the nitrogen (N) orbitals can hybridize with the underlying metal orbitals, and thus the regions of the h-BN monolayer with N situated on top of a metal atom will move closer to the substrate, leading to a corrugated h-BN layer. Calculated spatially-periodic modulations of the band profile and the local work function are in agreement with the experimental results. For the third system, results illustrate that the presence of the substrate alters the boundary conditions and thus can change the phase shifts of the quantum well states at the interface. The combination of Pb and Ag films creates a joint potential well that supports combined quantum well states. These findings suggest that in our studied systems, the interaction between the 2D materials and the substrates plays an important role in determining their electronic properties.
dc.description.degree Ph.D.
dc.format.mimetype application/pdf
dc.identifier.uri http://hdl.handle.net/1853/62616
dc.language.iso en_US
dc.publisher Georgia Institute of Technology
dc.subject Two-dimensional materials
dc.subject Heterostructures
dc.subject Moiré patterns
dc.subject Bimetallic thin films
dc.title Properties of two-dimensional materials grown on metal substrates
dc.type Text
dc.type.genre Dissertation
dspace.entity.type Publication
local.contributor.advisor Landman, Uzi
local.contributor.corporatename College of Sciences
local.contributor.corporatename School of Physics
relation.isAdvisorOfPublication d4b3b64d-e8d7-4c44-9c13-cb455d469c77
relation.isOrgUnitOfPublication 85042be6-2d68-4e07-b384-e1f908fae48a
relation.isOrgUnitOfPublication 2ba39017-11f1-40f4-9bc5-66f17b8f1539
thesis.degree.level Doctoral
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