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RIS citation export for TUP045: Ab Initio Calculations on Impurity Doped Niobium and Niobium Surfaces

AU  - Sitaraman, N.
AU  - Arias, T.
AU  - Farber, R.G.
AU  - Liepe, M.
AU  - Maniscalco, J.T.
AU  - Sibener, S.J.
AU  - Veit, R.D.
ED  - Michel, Peter
ED  - Arnold, André
ED  - Schaa, Volker RW
TI  - Ab Initio Calculations on Impurity Doped Niobium and Niobium Surfaces
J2  - Proc. of SRF2019, Dresden, Germany, 30 June-05 July 2019
CY  - Dresden, Germany
T2  - International Conference on RF Superconductivity
T3  - 19
LA  - english
AB  - 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.
PB  - JACoW Publishing
CP  - Geneva, Switzerland
SP  - 523
EP  - 526
KW  - niobium
KW  - scattering
KW  - electron
KW  - experiment
KW  - lattice
DA  - 2019/08
PY  - 2019
SN  - 978-3-95450-211-0
DO  - doi:10.18429/JACoW-SRF2019-TUP045
UR  - http://jacow.org/srf2019/papers/tup045.pdf
ER  -