SRF2019 - List of Authors (Sitaraman, N.)

Paper	Title	Page
MOP010	Ab Initio Calculations on the Growth and Superconducting Properties of Nb₃Sn	39
SUSP023	use link to see paper's listing under its alternate paper code
	N. Sitaraman, T. Arias, P. Cueva, M.M. Kelley, D.A. Muller Cornell University, Ithaca, New York, USA J.M. Carlson, A.R. Pack, M.K. Transtrum Brigham Young University, Provo, USA M. Liepe, R.D. Porter, Z. Sun Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
	Funding: This research was funded by the Center for Bright Beams. 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.
DOI •	reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-MOP010
About •	paper received ※ 02 July 2019 paper accepted ※ 03 July 2019 issue date ※ 14 August 2019
Export •	reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

MOP014	Electroplating of Sn Film on Nb Substrate for Generating Nb₃Sn Thin Films and Post Laser Annealing	51
SUSP036	use link to see paper's listing under its alternate paper code
	Z. Sun, M. Liepe, T.E. Oseroff, R.D. Porter Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA T. Arias, A.B. Connolly, J.M. Scholtz, N. Sitaraman, M.O. Thompson Cornell University, Ithaca, USA X. Deng University of Virginia, Charlottesville, Virginia, USA K.D. Dobson University of Delaware, Newark, Delaware, USA
	Controlling film quality of Nb₃Sn is critical to its SRF cavity performance. The state-of-the-art vapor diffusion approach for Nb₃Sn deposition observed surface roughness, thin grain regions, and misfit dislocations which negatively affect the RF performance. The Sn deficiency and non-uniformity at the nucleation stage of vapor deposition is believed to be the fundamental reason to cause these roughness and defects issues. Thus, we propose to pre-deposit a uniform Sn film on the Nb substrate, which is able to provide sufficient Sn source during the following heat treatment for Nb₃Sn nucleation and growth. Here, we demonstrated successful electrodeposition of a low-roughness, dendrite-free, excellent-adhesion Sn film on the Nb substrate. More importantly, we further achieved a uniform, low-roughness (Ra = 66 nm), pure-stoichiometric Nb₃Sn film through thermal treatment of this electroplated Sn film in the furnace. Additionally, we provide preliminary results of laser annealing as a post treatment for epitaxial grain growth and roughness reduction.
DOI •	reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-MOP014
About •	paper received ※ 22 June 2019 paper accepted ※ 30 June 2019 issue date ※ 14 August 2019
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TUFUA1	The Field-Dependent Surface Resistance of Doped Niobium: New Experimental and Theoretical Results	340
	J.T. Maniscalco, M. Ge, P.N. Koufalis, M. Liepe Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA T. Arias, D. Liarte, J.P. Sethna, N. Sitaraman Cornell University, Ithaca, New York, USA
	We present systematic work investigating how different doping and post-doping treatments affect the BCS surface resistance at 1.3~GHz and higher frequencies. We examine the field-dependent BCS resistance at many temperatures as well as the field-dependent residual resistance and use the results to reveal how impurity species and concentration levels affect the field-dependent RF properties. We further demonstrate the importance of thermal effects and their direct dependence on doping level. We use the tools of Density Functional Theory to work towards an {\em ab initio} model of electron overheating to theoretically confirm the impact of doping, create a full model that includes thermal effects to predict the field dependent resistance, and show that the predictions of the model agree with results from doped and non-doped cavities ({\em e.g.} the strength of the anti-Q-slope and the high-field Q slope). Finally, we use our experimental results to systematically assess and compare theories of the field-dependent BCS resistance, showing that the current theory on smearing of the density of states is incomplete.
	Slides TUFUA1 [6.780 MB]
DOI •	reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-TUFUA1
About •	paper received ※ 01 July 2019 paper accepted ※ 02 July 2019 issue date ※ 14 August 2019
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TUP045	Ab Initio Calculations on Impurity Doped Niobium and Niobium Surfaces	523
	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
	Funding: This work was funded by the Center for Bright Beams 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.
DOI •	reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-TUP045
About •	paper received ※ 02 July 2019 paper accepted ※ 03 July 2019 issue date ※ 14 August 2019
Export •	reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

Paper

Title

Page

MOP010

Ab Initio Calculations on the Growth and Superconducting Properties of Nb₃Sn

39

SUSP023

use link to see paper's listing under its alternate paper code

N. Sitaraman, T. Arias, P. Cueva, M.M. Kelley, D.A. Muller
Cornell University, Ithaca, New York, USA
J.M. Carlson, A.R. Pack, M.K. Transtrum
Brigham Young University, Provo, USA
M. Liepe, R.D. Porter, Z. Sun
Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA

Funding: This research was funded by the Center for Bright Beams.
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.

DOI •

reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-MOP010

About •

paper received ※ 02 July 2019 paper accepted ※ 03 July 2019 issue date ※ 14 August 2019

Export •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

MOP014

Electroplating of Sn Film on Nb Substrate for Generating Nb₃Sn Thin Films and Post Laser Annealing

51

SUSP036

use link to see paper's listing under its alternate paper code

Z. Sun, M. Liepe, T.E. Oseroff, R.D. Porter
Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
T. Arias, A.B. Connolly, J.M. Scholtz, N. Sitaraman, M.O. Thompson
Cornell University, Ithaca, USA
X. Deng
University of Virginia, Charlottesville, Virginia, USA
K.D. Dobson
University of Delaware, Newark, Delaware, USA

Controlling film quality of Nb₃Sn is critical to its SRF cavity performance. The state-of-the-art vapor diffusion approach for Nb₃Sn deposition observed surface roughness, thin grain regions, and misfit dislocations which negatively affect the RF performance. The Sn deficiency and non-uniformity at the nucleation stage of vapor deposition is believed to be the fundamental reason to cause these roughness and defects issues. Thus, we propose to pre-deposit a uniform Sn film on the Nb substrate, which is able to provide sufficient Sn source during the following heat treatment for Nb₃Sn nucleation and growth. Here, we demonstrated successful electrodeposition of a low-roughness, dendrite-free, excellent-adhesion Sn film on the Nb substrate. More importantly, we further achieved a uniform, low-roughness (Ra = 66 nm), pure-stoichiometric Nb₃Sn film through thermal treatment of this electroplated Sn film in the furnace. Additionally, we provide preliminary results of laser annealing as a post treatment for epitaxial grain growth and roughness reduction.

DOI •

reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-MOP014

About •

paper received ※ 22 June 2019 paper accepted ※ 30 June 2019 issue date ※ 14 August 2019

Export •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

TUFUA1

The Field-Dependent Surface Resistance of Doped Niobium: New Experimental and Theoretical Results

340

J.T. Maniscalco, M. Ge, P.N. Koufalis, M. Liepe
Cornell University (CLASSE), Cornell Laboratory for Accelerator-Based Sciences and Education, Ithaca, New York, USA
T. Arias, D. Liarte, J.P. Sethna, N. Sitaraman
Cornell University, Ithaca, New York, USA

We present systematic work investigating how different doping and post-doping treatments affect the BCS surface resistance at 1.3~GHz and higher frequencies. We examine the field-dependent BCS resistance at many temperatures as well as the field-dependent residual resistance and use the results to reveal how impurity species and concentration levels affect the field-dependent RF properties. We further demonstrate the importance of thermal effects and their direct dependence on doping level. We use the tools of Density Functional Theory to work towards an {\em ab initio} model of electron overheating to theoretically confirm the impact of doping, create a full model that includes thermal effects to predict the field dependent resistance, and show that the predictions of the model agree with results from doped and non-doped cavities ({\em e.g.} the strength of the anti-Q-slope and the high-field Q slope). Finally, we use our experimental results to systematically assess and compare theories of the field-dependent BCS resistance, showing that the current theory on smearing of the density of states is incomplete.

Slides TUFUA1 [6.780 MB]

DOI •

reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-TUFUA1

About •

paper received ※ 01 July 2019 paper accepted ※ 02 July 2019 issue date ※ 14 August 2019

Export •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)

TUP045

Ab Initio Calculations on Impurity Doped Niobium and Niobium Surfaces

523

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

Funding: This work was funded by the Center for Bright Beams
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.

DOI •

reference for this paper ※ https://doi.org/10.18429/JACoW-SRF2019-TUP045

About •

paper received ※ 02 July 2019 paper accepted ※ 03 July 2019 issue date ※ 14 August 2019

Export •

reference for this paper using ※ BibTeX, ※ LaTeX, ※ Text/Word, ※ RIS, ※ EndNote (xml)