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Full-Text Articles in Physics
Electrically Reversible Magnetization At The Antiperovskite/Perovskite Interface, Ding-Fu Shao, Gautam Gurung, Tula R. Paudel, Evgeny Y. Tsymbal
Electrically Reversible Magnetization At The Antiperovskite/Perovskite Interface, Ding-Fu Shao, Gautam Gurung, Tula R. Paudel, Evgeny Y. Tsymbal
Evgeny Tsymbal Publications
Using density-functional calculations, we predict the emergence of electrically reversible magnetization at the interface between antiferromagnetic noncollinear antiperovskite GaNMn3 and ferroelectric perovskite BaTiO3. We find that Mn magnetic moments are enhanced and reoriented at the GaNMn3/ATiO3 (001) (A = Sr and Ba) interface, resulting in a sizable net magnetization along the [110] direction. This magnetization is reversed with ferroelectric polarization of BaTiO3 through ∼20◦ rotation of the noncollinear magnetic moments. The effect is driven by ferroelectric modulation of the antiferromagnetic exchange coupling between the interfacial Mn atoms mediated by the Mn-3d orbital population. Our results open opportunities for controlling the …
Radiation Tolerance In Nano-Structured Crystalline Fe(Cr)/Amorphous Sioc Composite, Qing Su, Tianyao Wang, Lin Shao, Michael Nastasi
Radiation Tolerance In Nano-Structured Crystalline Fe(Cr)/Amorphous Sioc Composite, Qing Su, Tianyao Wang, Lin Shao, Michael Nastasi
Nebraska Center for Materials and Nanoscience: Faculty Publications
The management of irradiation defects is one of key challenges for structural materials in current and future reactor systems. To develop radiation tolerant alloys for service in extreme irradiation environments, the Fe self-ion radiation response of nanocomposites composed of amorphous silicon oxycarbide (SiOC) and crystalline Fe(Cr) were examined at 10, 20, and 50 displacements per atom damage levels. Grain growth in width direction was observed to increase with increasing irradiation dose in both Fe(Cr) films and Fe(Cr) layers in the nanocomposite after irradiation at room temperature. However, compared to the Fe(Cr) film, the Fe(Cr) layers in the nanocomposite exhibited ~50% …
Computational Studies On Perovskite-Metallofullerene Interface And Magnetic Properties Of Mn-Based Mixed Olivines, Bethuel Omutiti Khamala
Computational Studies On Perovskite-Metallofullerene Interface And Magnetic Properties Of Mn-Based Mixed Olivines, Bethuel Omutiti Khamala
Open Access Theses & Dissertations
Methyl ammonium lead halide (MAPbX3) perovskite based solar cells have recently emerged as promising class of materials for photovoltaic applications with efficiencies reaching over 22%. Designing interfaces with strong binding is vital to developing efficient, high-performing solar cells. Fullerene-based materials are widely employed as efficient electron acceptors and can serve as electron transporting layer in perovskite based solar cells. We have studied interfaces of methyl ammonium lead iodide MAPbI3 with Sc3N@C80 fullerene and Sc3N@C80PCBM fullerene derivate within the density functional formalism. Different surface terminations and orientations of the methyl ammonium are examined for binding of the fullerene layer. Our calculated …