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Physics

Missouri University of Science and Technology

Simulation

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Full-Text Articles in Physical Sciences and Mathematics

Resonant Photoemission In F-Electron Systems: Pu And Gd, James G. Tobin, Brandon W. Chung, Roland K. Schulze, Jeff Russell Terry, John Douglas Farr, David K. Shuh, K. Heinzelman, Eli Rotenberg, George Daniel Waddill, Gerrit V. Van Der Laan Oct 2003

Resonant Photoemission In F-Electron Systems: Pu And Gd, James G. Tobin, Brandon W. Chung, Roland K. Schulze, Jeff Russell Terry, John Douglas Farr, David K. Shuh, K. Heinzelman, Eli Rotenberg, George Daniel Waddill, Gerrit V. Van Der Laan

Physics Faculty Research & Creative Works

Resonant photoemission in the Pu 5f and Pu 6p states is compared to that in the Gd 4f and Gd 5p states. Spectral simulations, based upon an atomic model with angular momentum coupling, are compared to the Gd and Pu results. Additional spectroscopic measurements of Pu, including core level photoemission and x-ray absorption, are also presented.

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Electronic Structure Of Superconducting Mgb₂ And Related Binary And Ternary Borides, Nadezhda I. Medvedeva, Alexander L. Ivanovskii, Julia E. Medvedeva, Arthur J. Freeman Jun 2001

Electronic Structure Of Superconducting Mgb₂ And Related Binary And Ternary Borides, Nadezhda I. Medvedeva, Alexander L. Ivanovskii, Julia E. Medvedeva, Arthur J. Freeman

Physics Faculty Research & Creative Works

First-principles full potential linear muffin-tin orbital-generalized gradient approximation electronic structure calculations of the new medium-Tc superconductor (MTSC) MgB2 and related diborides indicate that superconductivity in these compounds is related to the existence of Px,y-band holes at the γ point. Based on these calculations, we explain the absence of medium-Tc superconductivity for BeB2, AlB2, ScB2, and YB2. The simulation of a number of MgB2-based ternary systems using a supercell approach demonstrates that (i) the electron doping of MgB2 (i.e., MgB2-yXy with X=Be, …

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