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 - Liu, H. AU - Hao, J.K. AU - Yang, Z.T. ED - Saito, Kenji ED - Xu, Ting ED - Sakamoto, Naruhiko ED - Schaa, Volker R.W. ED - Thomas, Paul W. TI - The Interaction among Interstitial C/N/O/H and Vacancy in Niobium via First-Principles Calculation J2 - Proc. of SRF2023, Grand Rapids, MI, USA, 25-30 June 2023 CY - Grand Rapids, MI, USA T2 - International Conference on RF Superconductivity T3 - 21 LA - english AB - We calculate the interaction among zero dimensional defects in niobium lattice through first-principles calculation. And we compare the trapping effect of hydrogen among carbon, nitrogen, and oxygen as well as the trapping effect of interstitial atoms by vacancy. We find that the interstitial C/N/O have similar effect of trapping interstitial hydrogen in niobium lattice, and the vacancy can trap interstitial C/N/O/H in adjacent protocells and strengthen their chemical bond with Nb. These calculations give some explanation for improving superconducting performance of niobium cavities through medium temperature baking. PB - JACoW Publishing CP - Geneva, Switzerland SP - 778 EP - 783 KW - niobium KW - lattice KW - electron KW - site KW - cavity DA - 2023/09 PY - 2023 SN - 2673-5504 SN - 978-3-95450-234-9 DO - doi:10.18429/JACoW-SRF2023-WEPWB084 UR - https://jacow.org/srf2023/papers/wepwb084.pdf ER -