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Full-Text Articles in Physical Sciences and Mathematics
Magnetism Of Novel Rare-Earth-Free Intermetallic Compounds, Haohan Wang
Magnetism Of Novel Rare-Earth-Free Intermetallic Compounds, Haohan Wang
Department of Physics and Astronomy: Dissertations, Theses, and Student Research
Rare-earth-free magnets have drawn lots of interest because of their low cost, and the production is not limited by the shortage of rare-earth elements. This dissertation focuses on three rare-earth-free materials, Fe-Co-Ti alloys, Fe-Ni-B alloys, and Co-Si. All of them are synthesized by arc melting followed by melt-spinning. Fe3+xCo3−xTi2 (x = 0, 2, 3) alloys exhibit hexagonal crystal structures and show non-collinear spin structures according to neutron diffraction. The magnetic moments have projections on both the c-axis and basal plane, and the corresponding misalignment angle exhibits a nonlinear decrease with …
Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin
Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin
Arts & Sciences Electronic Theses and Dissertations
The discovery of bronze as an alloy of copper and tin is arguably the earliest form of material design, dating back thousands of years. In contrast, two-dimensional materials are new to the 21st century. The research presented in this dissertation is at the intersection of alloying and two-dimensional materials. I specifically study a class of two-dimensional materials known as transition metal dichalcogenides (TMDCs). Because of the large number of transition metals, there are many combinations of TMDCs that can be alloyed, making experimental exploration of the phase space of possible alloys unwieldly. Instead, I have applied first-principles methods to study …
Polarization Discontinuity Induced Two-Dimensional Electron Gas At Zno/Zn(Mg)O Interfaces: A First-Principles Study, Jesuan Betancourt, J. J. Saavedra-Arias, John D. Burton, Yasuyuki Ishikawa, Evgeny Y. Tsymbal, Julian P. Velev
Polarization Discontinuity Induced Two-Dimensional Electron Gas At Zno/Zn(Mg)O Interfaces: A First-Principles Study, Jesuan Betancourt, J. J. Saavedra-Arias, John D. Burton, Yasuyuki Ishikawa, Evgeny Y. Tsymbal, Julian P. Velev
Evgeny Tsymbal Publications
The discovery of a high-mobility two-dimensional electron gas (2DEG) in wurtzite ZnO/Zn(Mg)O heterostructures is promising for applications due to the high mobility of the carriers. In this paper, we study the formation and properties of the 2DEG at ZnO/Zn(Mg)O interfaces using first-principles calculations based on hybrid density functional theory. The 2DEG arises from the polarization discontinuity at the interface between the two materials. The uncompensated bound charge at the interface gives rise to an electric field in the bulk of ZnO which confines free carriers close to the interface. We find that the type of the confined carriers is determined …