skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on August 7, 2020

Title: Role of atomic coordination on superconducting properties of boron-doped amorphous carbon

Abstract

We study the effect of atomic coordination (orbital hybridization) on superconducting properties of boron-doped amorphous carbon. The ratio of threefold coordinated (sp 2-hybridized) and fourfold coordinated (sp 3-hybridized) atoms in the system is found to have an impact on their electronic, vibrational, and superconducting properties. Our findings show that a high proportion of fourfold coordination in both carbon and boron atoms is important for realizing a high superconducting transition temperature.

Authors:
 [1];  [1];  [2]
+ Show Author Affiliations
  1. Univ. of Texas, Austin, TX (United States). Center for Computational Materials, Oden Inst. for Computational Engineering and Sciences
  2. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1601649
Alternate Identifier(s):
OSTI ID: 1547954
Grant/Contract Number:  
AC02-05CH11231; FG02-06ER46286
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 8; Journal ID: ISSN 2475-9953
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. Role of atomic coordination on superconducting properties of boron-doped amorphous carbon. United States: N. p., 2019. Web. doi:10.1103/physrevmaterials.3.084802.
Copy to clipboard
Sakai, Yuki, Chelikowsky, James R., & Cohen, Marvin L. Role of atomic coordination on superconducting properties of boron-doped amorphous carbon. United States. doi:10.1103/physrevmaterials.3.084802.
Copy to clipboard
Sakai, Yuki, Chelikowsky, James R., and Cohen, Marvin L. Wed . "Role of atomic coordination on superconducting properties of boron-doped amorphous carbon". United States. doi:10.1103/physrevmaterials.3.084802.
Copy to clipboard
@article{osti_1601649,
title = {Role of atomic coordination on superconducting properties of boron-doped amorphous carbon},
author = {Sakai, Yuki and Chelikowsky, James R. and Cohen, Marvin L.},
abstractNote = {We study the effect of atomic coordination (orbital hybridization) on superconducting properties of boron-doped amorphous carbon. The ratio of threefold coordinated (sp2-hybridized) and fourfold coordinated (sp3-hybridized) atoms in the system is found to have an impact on their electronic, vibrational, and superconducting properties. Our findings show that a high proportion of fourfold coordination in both carbon and boron atoms is important for realizing a high superconducting transition temperature.},
doi = {10.1103/physrevmaterials.3.084802},
journal = {Physical Review Materials},
number = 8,
volume = 3,
place = {United States},
year = {2019},
month = {8}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
This content will become publicly available on August 7, 2020
Publisher's Version of Record
DOI:  10.1103/physrevmaterials.3.084802
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Superconductivity in diamond
journal, April 2004

  • Ekimov, E. A.; Sidorov, V. A.; Bauer, E. D.
  • Nature, Vol. 428, Issue 6982
  • DOI: 10.1038/nature02449

Superconducting properties of homoepitaxial CVD diamond
journal, April 2007

Signature of high T c above 25 K in high quality superconducting diamond
journal, February 2015

  • Okazaki, Hiroyuki; Wakita, Takanori; Muro, Takayuki
  • Applied Physics Letters, Vol. 106, Issue 5
  • DOI: 10.1063/1.4907411

Superconductivity in Thin Films of Boron-Doped Carbon Nanotubes
journal, July 2008

Superconductivity in Boron-Doped Carbon Nanotubes
journal, October 2010

  • Haruyama, J.; Matsudaira, M.; Reppert, J.
  • Journal of Superconductivity and Novel Magnetism, Vol. 24, Issue 1-2
  • DOI: 10.1007/s10948-010-0906-6

Superconductivity at 33 K in CsxRbyC60
journal, July 1991

  • Tanigaki, K.; Ebbesen, T. W.; Saito, S.
  • Nature, Vol. 352, Issue 6332
  • DOI: 10.1038/352222a0

Superconductivity in the intercalated graphite compounds C6Yb and C6Ca
journal, September 2005

  • Weller, Thomas E.; Ellerby, Mark; Saxena, Siddharth S.
  • Nature Physics, Vol. 1, Issue 1
  • DOI: 10.1038/nphys0010

Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018

Novel phase of carbon, ferromagnetism, and conversion into diamond
journal, December 2015

  • Narayan, Jagdish; Bhaumik, Anagh
  • Journal of Applied Physics, Vol. 118, Issue 21
  • DOI: 10.1063/1.4936595

Discovery of High-Temperature Superconductivity ( T c = 55 K) in B-Doped Q-Carbon
journal, October 2016

High-Temperature Superconductivity in Boron-Doped Q-Carbon
journal, May 2017

Superconductivity at 39 K in magnesium diboride
journal, March 2001

  • Nagamatsu, Jun; Nakagawa, Norimasa; Muranaka, Takahiro
  • Nature, Vol. 410, Issue 6824
  • DOI: 10.1038/35065039

Simulating the effect of boron doping in superconducting carbon
journal, February 2018

Pseudopotentials and Total Energy Calculations
journal, January 1982

Momentum-space formalism for the total energy of solids
journal, November 1979

Efficient pseudopotentials for plane-wave calculations
journal, January 1991

Inhomogeneous Electron Gas
journal, November 1964

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

Finite-difference-pseudopotential method: Electronic structure calculations without a basis
journal, February 1994

The pseudopotential-density functional method applied to nanostructures
journal, March 2000

PARSEC – the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
journal, April 2006

  • Kronik, Leeor; Makmal, Adi; Tiago, Murilo L.
  • physica status solidi (b), Vol. 243, Issue 5
  • DOI: 10.1002/pssb.200541463

Real-space pseudopotential method for first principles calculations of general periodic and partially periodic systems
journal, August 2008

Simulated annealing of silicon atom clusters in Langevin molecular dynamics
journal, July 1986

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

  • Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
  • Reviews of Modern Physics, Vol. 73, Issue 2
  • DOI: 10.1103/RevModPhys.73.515

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Electron-phonon interactions from first principles
journal, February 2017

Transition temperature of strong-coupled superconductors reanalyzed
journal, August 1975

Magnetism in amorphous carbon
journal, July 2018

    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: