Modeling electronic structure and spectroscopy of correlated materials, 2D thin films and their heterostructures

Permanent URL: http://hdl.handle.net/2047/D20321216
Title:
Modeling electronic structure and spectroscopy of correlated materials, 2D thin films and their heterostructures
Creator:
Lane, Christopher A. (Author)
Contributor:
Bansil, Arun (Advisor)
Markiewicz, Robert (Committee member)
Fiete, Gregory (Committee member)
Barbiellini, Bernardo (Committee member)
Language:
English
Publisher:
Boston, Massachusetts : Northeastern University, 2019
Date Accepted:
May 2019
Date Awarded:
August 2019
Type of resource:
Text
Genre:
Dissertations
Format:
electronic
Digital origin:
born digital
Abstract/Description:
This thesis presents work that has been done to address a variety of questions related to the electronic structure and spectroscopy of various novel materials, which include two-dimensional atomically-thin films beyond graphene, high-Tc superconductors, plasmonic nanosystems, and topological Dirac and Weyl semi-metals. For this purpose, state-of-the-art ab initio density functional theory methods are employed to gain insight into various experimental observations involving angle-resolved photoemission, optical spectroscopy, scanning tunneling spectroscopy, and neutron scattering. Moreover, the development of comprehensive, material-specific techniques for going beyond the density functional theory framework to incorporate effects of strong multi-orbital electron correlations, including effects of spin-orbit coupling are discussed. Many of the studies contained herein represent breakthroughs in fundamental science and have driven applications in spintronics, optical sensing, and catalysis.
Subjects and keywords:
Density Functional Theory
Many Body Physics
Materials Physics
Theoretical Condensed Matter Physics
Condensed matter physics
Computational physics
Computational chemistry
DOI:
https://doi.org/10.17760/D20321216
Permanent URL:
http://hdl.handle.net/2047/D20321216
Use and reproduction:
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