| Title |
Ab Initio Calculations on Impurity Doped Niobium and Niobium Surfaces |
| Authors |
- N. Sitaraman, T. Arias
Cornell University, Ithaca, New York, USA
- R.G. Farber, S.J. Sibener, R.D. Veit
The University of Chicago, Chicago, Illinois, USA
- M. Liepe, J.T. Maniscalco
Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
|
| Abstract |
We develop and apply new tools to understand Nb surface chemistry and fundamental electronic processes using theoretical ab initio methods. We study the thermodynamics of impurities and hydrides in the near-surface region as well as their effect on the surface band gap. This makes it possible for experimentalists to relate changes in STM dI/dV measurements resulting from different preparations to changes in subsurface structure. We also calculate matrix elements for electron-impurity scattering in Nb for common impurities O, N, C, and H. By transforming these matrix elements into a Wannier function basis, we calculate lifetimes for a dense set of states on the Fermi surface and determine the mean free path as a function of impurity density. This technique can be generalized to calculate other scattering amplitudes and timescales relevant to SRF theory.
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| Funding |
This work was funded by the Center for Bright Beams |
| Paper |
download TUP045.PDF [1.038 MB / 4 pages] |
| Export |
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| Conference |
SRF2019 |
| Series |
International Conference on RF Superconductivity (19th) |
| Location |
Dresden, Germany |
| Date |
30 June-05 July 2019 |
| Publisher |
JACoW Publishing, Geneva, Switzerland |
| Editorial Board |
Peter Michel (HZDR, Dresden, Germany); André Arnold (HZDR, Dresden, Germany); Volker RW Schaa (GSI, Darmstadt, Germany) |
| Online ISBN |
978-3-95450-211-0 |
| Online ISSN |
"" |
| Received |
02 July 2019 |
| Accepted |
03 July 2019 |
| Issue Date |
14 August 2019 |
| DOI |
doi:10.18429/JACoW-SRF2019-TUP045 |
| Pages |
523-526 |
| Copyright |
 Published by JACoW Publishing under the terms of the Creative Commons Attribution 3.0 International license. Any further distribution of this work must maintain attribution to the author(s), the published article's title, publisher, and DOI. |
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