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RIS citation export for MOP010: Ab Initio Calculations on the Growth and Superconducting Properties of Nb₃Sn

TY  - CONF
AU  - Sitaraman, N.
AU  - Arias, T.
AU  - Carlson, J.M.
AU  - Cueva, P.
AU  - Kelley, M.M.
AU  - Liepe, M.
AU  - Muller, D.A.
AU  - Pack, A.R.
AU  - Porter, R.D.
AU  - Sun, Z.
AU  - Transtrum, M.K.
ED  - Michel, Peter
ED  - Arnold, André
ED  - Schaa, Volker RW
TI  - Ab Initio Calculations on the Growth and Superconducting Properties of Nb₃Sn
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  - In this work, we employ theoretical ab initio techniques to solve mysteries and gain new insights in Nb₃Sn SRF physics. We determine the temperature dependence of Nb₃Sn antisite defect formation energies, and discuss the implications of these results for defect segregation. We calculate the phonon spectral function for Nb₃Sn cells with different combinations of antisite defects and use these results to determine Tc as a function of stoichiometry. These results allow for the first-ever determination of Tc in the tin-rich regime, where experimental measurements are unavailable and which is critical to understanding the impact of tin-rich grain boundaries on superconducting cavity performance. Finally, we propose a theory for the growth mechanism of Nb₃Sn growth on a thick oxide, explaining the puzzling disappearing droplet behavior of Sn on Nb oxide and suggesting how in general an oxide layer reacts with Sn to produce a uniform Nb₃Sn layer.
PB  - JACoW Publishing
CP  - Geneva, Switzerland
SP  - 39
EP  - 43
KW  - site
KW  - cavity
KW  - niobium
KW  - SRF
KW  - electron
DA  - 2019/08
PY  - 2019
SN  - 978-3-95450-211-0
DO  - doi:10.18429/JACoW-SRF2019-MOP010
UR  - http://jacow.org/srf2019/papers/mop010.pdf
ER  -