First-Principles Estimation of Core Level Shifts for Hf, Ta, W, and Re
| Autor: | Daniel Wolverson, Benjamin Smith, Enrico Da Como, Charles Sayers, Gary Wan, Luca Pasquali, Mattia Cattelan |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Popis: | A simple first-principles approach is used to estimate the core level shifts observed in X-ray photoelectron spectroscopy for the 4f electrons of Hf, Ta, W, and Re; these elements were selected because their 4f levels are relatively close to the Fermi energy. The approach is first tested by modeling the surface core level shifts of low-index surfaces of the four elemental metals, followed by its application to the well-studied material TaSe |
| Databáze: | OpenAIRE |
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