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Full-Text Articles in Physics
Electronic Structure And Insulating Gap In Epitaxial Vo2 Polymorphs, Shinbuhm Lee, Tricia L. Meyer, Changhee Sohn, Donghwa Lee, John Nichols, Dongkyu Lee, Sung S. Ambrose Seo, John W. Freeland, Tae Won Noh, Ho Nyung Lee
Electronic Structure And Insulating Gap In Epitaxial Vo2 Polymorphs, Shinbuhm Lee, Tricia L. Meyer, Changhee Sohn, Donghwa Lee, John Nichols, Dongkyu Lee, Sung S. Ambrose Seo, John W. Freeland, Tae Won Noh, Ho Nyung Lee
Physics and Astronomy Faculty Publications
Determining the origin of the insulating gap in the monoclinic VO2(M1) is a long-standing issue. The difficulty of this study arises from the simultaneous occurrence of structural and electronic transitions upon thermal cycling. Here, we compare the electronic structure of the M1 phase with that of single crystalline insulating VO2(A) and VO2(B) thin films to better understand the insulating phase of VO2. As these A and B phases do not undergo a structural transition upon thermal cycling, we comparatively study the origin of the gap opening in the insulating VO2 phases. …
Electronic Structures Of Lanthanum, Samarium, And Gadolinium Sulfides, Lu Wang, Chris M. Marin, Wai-Ning Mei, Chin Li Cheung
Electronic Structures Of Lanthanum, Samarium, And Gadolinium Sulfides, Lu Wang, Chris M. Marin, Wai-Ning Mei, Chin Li Cheung
Physics Faculty Publications
In this study, we report our efforts to elucidate the electronic structures of two lattice structures of lanthanide sulfides (LnS and Ln3S4) and for three lanthanides (Ln = La, Sm and Gd) using density functional theory calculations performed with the CASTEP code. A DFT+U method was used for the corrections of on-site Coulomb interactions with U = 6 eV. The calculated electronic structures show that both lanthanum and gadolinium sulfides have metallic properties, consistent with the available experimental results. However, the calculated electronic structure of Sm3S4 is considerably different from those of the La3S4 and Gd3S4 and is predicted to …
Using Graphene To Control Magnetic Anisotropy And Interaction Between Supported Clusters, Sanjubala Sahoo, M Fhokrul Islam, Shiv N. Khanna
Using Graphene To Control Magnetic Anisotropy And Interaction Between Supported Clusters, Sanjubala Sahoo, M Fhokrul Islam, Shiv N. Khanna
Physics Publications
Stabilization of magnetic order in clusters/nanoparticles at elevated temperatures is a fundamentally challenging problem. The magnetic anisotropy energy (MAE) that prevents the thermal fluctuations of the magnetization direction can be around 1–10 K in free transition metal clusters of around a dozen atoms. Here we demonstrate that a graphene support can lead to an order of magnitude enhancement in the anisotropy of supported species. Our studies show that the MAE of supported Co5 and Co13 clusters on graphene increase by factors of 2.6 and 25, respectively. The enhancement is linked to the splitting of selected electronic orbitals that leads to …