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Title: Magnetic stability of oxygen defects on the SiO 2 surface

The magnetic stability of E' centers and the peroxy radical on the surface of α-quartz is investigated with first-principles calculations to understand their role in magnetic flux noise in superconducting qubits (SQs) and superconducting quantum interference devices (SQUIDs) fabricated on amorphous silica substrates. Paramagnetic E' centers are common in both stoichiometric and oxygen deficient silica and quartz, and we calculate that they are more common on the surface than the bulk. However, we find the surface defects are magnetically stable in their paramagnetic ground state and thus will not contribute to 1/f noise through fluctuation at millikelvin temperatures.
Authors:
 [1] ; ORCiD logo [1] ;  [1] ;  [1] ;  [1] ;  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); San Francisco State Univ., CA (United States)
Publication Date:
Grant/Contract Number:
AC52-07NA28344; 12-ERD-020; 15-ERD-051
Type:
Published Article
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 7; Journal Issue: 2; Journal ID: ISSN 2158-3226
Publisher:
American Institute of Physics (AIP)
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Silica; Crystal defects; Excited states; Valence bands; Dangling bonds
OSTI Identifier:
1349365
Alternate Identifier(s):
OSTI ID: 1395303; OSTI ID: 1420520

Adelstein, Nicole, Lee, Donghwa, DuBois, Jonathan L., Ray, Keith G., Varley, Joel B., and Lordi, Vincenzo. Magnetic stability of oxygen defects on the SiO2 surface. United States: N. p., Web. doi:10.1063/1.4977194.
Adelstein, Nicole, Lee, Donghwa, DuBois, Jonathan L., Ray, Keith G., Varley, Joel B., & Lordi, Vincenzo. Magnetic stability of oxygen defects on the SiO2 surface. United States. doi:10.1063/1.4977194.
Adelstein, Nicole, Lee, Donghwa, DuBois, Jonathan L., Ray, Keith G., Varley, Joel B., and Lordi, Vincenzo. 2017. "Magnetic stability of oxygen defects on the SiO2 surface". United States. doi:10.1063/1.4977194.
@article{osti_1349365,
title = {Magnetic stability of oxygen defects on the SiO2 surface},
author = {Adelstein, Nicole and Lee, Donghwa and DuBois, Jonathan L. and Ray, Keith G. and Varley, Joel B. and Lordi, Vincenzo},
abstractNote = {The magnetic stability of E' centers and the peroxy radical on the surface of α-quartz is investigated with first-principles calculations to understand their role in magnetic flux noise in superconducting qubits (SQs) and superconducting quantum interference devices (SQUIDs) fabricated on amorphous silica substrates. Paramagnetic E' centers are common in both stoichiometric and oxygen deficient silica and quartz, and we calculate that they are more common on the surface than the bulk. However, we find the surface defects are magnetically stable in their paramagnetic ground state and thus will not contribute to 1/f noise through fluctuation at millikelvin temperatures.},
doi = {10.1063/1.4977194},
journal = {AIP Advances},
number = 2,
volume = 7,
place = {United States},
year = {2017},
month = {2}
}

Works referenced in this record:

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Self-interaction correction to density-functional approximations for many-electron systems
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