Simulating the effect of boron doping in superconducting carbon
Abstract
This study examines the effect of boron doping in superconducting forms of amorphous carbon. By judiciously optimizing boron substitutional sites in simulated amorphous carbon, we predict a superconducting transition temperature near 37 K at 14% boron concentration. Our findings have direct implications for understanding the recently discovered high-$$T_c$$ superconductivity in Q-carbon.
- Authors:
-
- Univ. of Texas, Austin, TX (United States). Center for Computational Materials, Inst. for Computational Engineering and Sciences
- Univ. of Texas, Austin, TX (United States). Center for Computational Materials, Inst. for Computational Engineering and Sciences, Dept. of Chemical Engineering, and Dept. of Physics
- Univ. of California, Berkeley, CA (United States). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1544330
- Alternate Identifier(s):
- OSTI ID: 1419093
- Grant/Contract Number:
- FG02-06ER46286; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 97; Journal Issue: 5; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Sakai, Yuki, Chelikowsky, James R., and Cohen, Marvin L. Simulating the effect of boron doping in superconducting carbon. United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.97.054501.
Sakai, Yuki, Chelikowsky, James R., & Cohen, Marvin L. Simulating the effect of boron doping in superconducting carbon. United States. https://doi.org/10.1103/PhysRevB.97.054501
Sakai, Yuki, Chelikowsky, James R., and Cohen, Marvin L. Thu .
"Simulating the effect of boron doping in superconducting carbon". United States. https://doi.org/10.1103/PhysRevB.97.054501. https://www.osti.gov/servlets/purl/1544330.
@article{osti_1544330,
title = {Simulating the effect of boron doping in superconducting carbon},
author = {Sakai, Yuki and Chelikowsky, James R. and Cohen, Marvin L.},
abstractNote = {This study examines the effect of boron doping in superconducting forms of amorphous carbon. By judiciously optimizing boron substitutional sites in simulated amorphous carbon, we predict a superconducting transition temperature near 37 K at 14% boron concentration. Our findings have direct implications for understanding the recently discovered high-$T_c$ superconductivity in Q-carbon.},
doi = {10.1103/PhysRevB.97.054501},
journal = {Physical Review B},
number = 5,
volume = 97,
place = {United States},
year = {2018},
month = {2}
}
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Figures / Tables:
FIG. 1: (a) Ball-and-stick model of amorphous carbon. Gray and orange spheres represent 3-fold and 4-fold coordinated carbon atoms, respectively. (b) Radial distribution function of amorphous carbon. (c) Density of states (in states/spin/Ry/cell) of undoped amorphous carbon (red solid line) and its projection onto $p$-orbital of 3-fold coordinated carbon atomsmore »
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Works referencing / citing this record:
Structure–property correlations in phase-pure B-doped Q-carbon high-temperature superconductor with a record T c = 55 K
journal, January 2019
- Bhaumik, Anagh; Narayan, Jagdish
- Nanoscale, Vol. 11, Issue 18
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.