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Full-Text Articles in Physical Sciences and Mathematics
Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces, Ganesh Krishna Hegde
Modeling The Atomic And Electronic Structure Of Metal-Metal, Metal-Semiconductor And Semiconductor-Oxide Interfaces, Ganesh Krishna Hegde
Open Access Dissertations
The continuous downward scaling of electronic devices has renewed attention on the importance of the role of material interfaces in the functioning of key components in electronic technology in recent times. It has also brought into focus the utility of
atomistic modeling in providing insights from a materials design perspective. In this thesis, a combination of Semi Empirical Tight-Binding (TB), first-principles Density
Functional Theory and Reactive Molecular Dynamics (MD) modeling is used to study aspects of the electronic and atomic structure of three such 'canonical' material interfaces - Metal-Metal, Metal-Semiconductor and Semiconductor oxide interfaces.
An important contribution of this thesis …
Tuning Electronic Structure Via Exipatial Strain In Sr2Iro4 Thin Films, J. Nichols, Jsaminka Terzic, Emily Geraldine Bittle, Oleksandr B. Korneta, Lance E. De Long, Joseph Brill, Gang Cao, Sung S. Ambrose Seo
Tuning Electronic Structure Via Exipatial Strain In Sr2Iro4 Thin Films, J. Nichols, Jsaminka Terzic, Emily Geraldine Bittle, Oleksandr B. Korneta, Lance E. De Long, Joseph Brill, Gang Cao, Sung S. Ambrose Seo
Physics and Astronomy Faculty Publications
We have synthesized epitaxial Sr2IrO4 thin-films on various substrates and studied their electronic structure as a function of lattice-strain. Under tensile (compressive) strain, increased (decreased) Ir-O-Ir bond-angle is expected to result in increased (decreased) electronic bandwidth. However, we have observed that the two optical absorption peaks near 0.5 eV and 1.0 eV are shifted to higher (lower) energies under tensile (compressive) strain, indicating that the electronic-correlation energy is also affected by in-plane lattice-strain. The effective tuning of electronic structure under lattice-modification provides an important insight into the physics driven by the coexisting strong spin-orbit coupling and electronic …