JACoW is a publisher in Geneva, Switzerland that publishes the proceedings of accelerator conferences held around the world by an international collaboration of editors.
TY - CONF AU - Sitaraman, N. AU - Arias, T. AU - Baraissov, Z. AU - Kelley, M.M. AU - Liepe, M. AU - Muller, D.A. AU - Porter, R.D. AU - Sun, Z. ED - Saito, Kenji ED - Xu, Ting ED - Sakamoto, Naruhiko ED - Lesage, Ana ED - Schaa, Volker R.W. TI - New Recipes to Optimize the Niobium Oxide Surface From First-Principles Calculations J2 - Proc. of SRF2021, East Lansing, MI, USA, 28 June-02 July 2021 CY - East Lansing, MI, USA T2 - International Conference on RF Superconductivity T3 - 20 LA - english AB - The properties of niobium oxide are of critical importance for a wide range of topics, from the behavior of nitrogen during infusion treatments, to the nucleation of Nb₃Sn, to the superconducting properties of the surface. However, the modeling of the oxide is often much simplified, ignoring the variety of niobium oxide phases and the extremely different properties of these phases in the presence of impurities and defects. We use density functional theory (DFT) to investigate how electrochemical treatments and gas infusion procedures change the properties of niobium oxide, and to investigate how these properties could be optimized for Nb₃Sn nucleation and for niobium SRF performance. PB - JACoW Publishing CP - Geneva, Switzerland SP - 426 EP - 430 KW - niobium KW - electron KW - SRF KW - cavity KW - site DA - 2022/10 PY - 2022 SN - 2673-5504 SN - 978-3-95450-233-2 DO - doi:10.18429/JACoW-SRF2021-TUPFDV010 UR - https://jacow.org/srf2021/papers/tupfdv010.pdf ER -