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Title: Superconductivity in dense carbon-based materials

Abstract

Guided by a simple strategy in searching of new superconducting materials we predict that high temperature superconductivity can be realized in classes of high-density materials having strong sp 3 chemical bonding and high lattice symmetry. Here, we examine in detail sodalite carbon frameworks doped with simple metals such as Li, Na, and Al. Though such materials share some common features with doped diamond, their doping level is not limited and the density of states at the Fermi level in them can be as high as that in the renowned MgB 2. Altogether, with other factors, this boosts the superconducting temperature (T c) in the materials investigated to higher levels compared to doped diamond. For example, the superconducting T c of sodalite-like NaC 6 is predicted to be above 100 K. This phase and a series of other sodalite-based superconductors are predicted to be metastable phases but are dynamically stable. In owing to the rigid carbon framework of these and related dense carbon-materials, these doped sodalite-based structures could be recoverable as potentially useful superconductors.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [1];  [3]
  1. Jilin Univ., Changchun (China). State Key Lab. of Supramolecular Structure and Materials
  2. Univ. of Saskatchewan, Saskatoon, SK (Canada). Dept. of Physics and Engineering Physics; Carnegie Inst. of Washington, Washington, DC (United States). Geophysical Lab.
  3. Carnegie Inst. of Washington, Washington, DC (United States). Geophysical Lab.
  4. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics
  5. Jiangsu Normal Univ., Xuzhou (Peoples Republic of China). School of Physics and Electronic Engineering
  6. Univ. of Saskatchewan, Saskatoon, SK (Canada). Dept. of Physics and Engineering Physics; Jilin Univ., Changchun (China). State Key Lab. of Superhard Materials
Publication Date:
Research Org.:
Carnegie Institution for Science, Washington, DC (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1364602
Alternate Identifier(s):
OSTI ID: 1242577
Grant/Contract Number:  
NA0002006; SC0001057; SC-0001057; NA-0002006
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 10; 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

Lu, Siyu, Liu, Hanyu, Naumov, Ivan I., Meng, Sheng, Li, Yinwei, Tse, John S., Yang, Bai, and Hemley, Russell J. Superconductivity in dense carbon-based materials. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.104509.
Lu, Siyu, Liu, Hanyu, Naumov, Ivan I., Meng, Sheng, Li, Yinwei, Tse, John S., Yang, Bai, & Hemley, Russell J. Superconductivity in dense carbon-based materials. United States. doi:10.1103/PhysRevB.93.104509.
Lu, Siyu, Liu, Hanyu, Naumov, Ivan I., Meng, Sheng, Li, Yinwei, Tse, John S., Yang, Bai, and Hemley, Russell J. Tue . "Superconductivity in dense carbon-based materials". United States. doi:10.1103/PhysRevB.93.104509. https://www.osti.gov/servlets/purl/1364602.
@article{osti_1364602,
title = {Superconductivity in dense carbon-based materials},
author = {Lu, Siyu and Liu, Hanyu and Naumov, Ivan I. and Meng, Sheng and Li, Yinwei and Tse, John S. and Yang, Bai and Hemley, Russell J.},
abstractNote = {Guided by a simple strategy in searching of new superconducting materials we predict that high temperature superconductivity can be realized in classes of high-density materials having strong sp3 chemical bonding and high lattice symmetry. Here, we examine in detail sodalite carbon frameworks doped with simple metals such as Li, Na, and Al. Though such materials share some common features with doped diamond, their doping level is not limited and the density of states at the Fermi level in them can be as high as that in the renowned MgB2. Altogether, with other factors, this boosts the superconducting temperature (Tc) in the materials investigated to higher levels compared to doped diamond. For example, the superconducting Tc of sodalite-like NaC6 is predicted to be above 100 K. This phase and a series of other sodalite-based superconductors are predicted to be metastable phases but are dynamically stable. In owing to the rigid carbon framework of these and related dense carbon-materials, these doped sodalite-based structures could be recoverable as potentially useful superconductors.},
doi = {10.1103/PhysRevB.93.104509},
journal = {Physical Review B},
number = 10,
volume = 93,
place = {United States},
year = {2016},
month = {3}
}

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Works referenced in this record:

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

Superconductivity of MgB 2 : Covalent Bonds Driven Metallic
journal, May 2001


The origin of the anomalous superconducting properties of MgB2
journal, August 2002

  • Choi, Hyoung Joon; Roundy, David; Sun, Hong
  • Nature, Vol. 418, Issue 6899
  • DOI: 10.1038/nature00898

Superconductivity of Metallic Boron in MgB 2
journal, May 2001


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

Superconductivity of Bulk CaC 6
journal, August 2005


Superconductivity in graphite intercalation compounds
journal, July 2015

  • Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.
  • Physica C: Superconductivity and its Applications, Vol. 514
  • DOI: 10.1016/j.physc.2015.02.029

Superconducting graphene sheets in CaC6 enabled by phonon-mediated interband interactions
journal, March 2014

  • Yang, S. -L.; Sobota, J. A.; Howard, C. A.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4493

The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds
journal, September 2005

  • Csányi, Gábor; Littlewood, P. B.; Nevidomskyy, Andriy H.
  • Nature Physics, Vol. 1, Issue 1
  • DOI: 10.1038/nphys119

Theoretical Explanation of Superconductivity in C 6 Ca
journal, November 2005


Evidence for superconductivity in Li-decorated monolayer graphene
journal, September 2015

  • Ludbrook, B. M.; Levy, G.; Nigge, P.
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 38
  • DOI: 10.1073/pnas.1510435112

Superconductivity in fullerides
journal, April 1997


Superconductivity, Mott Hubbard states, and molecular orbital order in intercalated fullerides
journal, March 2003


Superconducting group-IV semiconductors
journal, May 2009

  • Blase, Xavier; Bustarret, Etienne; Chapelier, Claude
  • Nature Materials, Vol. 8, Issue 5
  • DOI: 10.1038/nmat2425

Superconductivity in diamond
journal, April 2004

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

Superconductivity in Boron-Doped Diamond
journal, November 2004


Three-Dimensional M g B 2 -Type Superconductivity in Hole-Doped Diamond
journal, November 2004


Superconductivity in Doped s p 3 Semiconductors: The Case of the Clathrates
journal, December 2003


Electron-phonon coupling in halogen-doped carbon clathrates from first principles
journal, November 2006


Superconductivity in the Silicon Clathrate Compound (Na,Ba) x S i 46
journal, February 1995


First-Principles Prediction of Doped Graphane as a High-Temperature Electron-Phonon Superconductor
journal, July 2010


Hydrogen Dominant Metallic Alloys: High Temperature Superconductors?
journal, May 2004


Metallic Hydrogen: A High-Temperature Superconductor?
journal, December 1968


The metallization and superconductivity of dense hydrogen sulfide
journal, May 2014

  • Li, Yinwei; Hao, Jian; Liu, Hanyu
  • The Journal of Chemical Physics, Vol. 140, Issue 17
  • DOI: 10.1063/1.4874158

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
journal, August 2015

  • Drozdov, A. P.; Eremets, M. I.; Troyan, I. A.
  • Nature, Vol. 525, Issue 7567
  • DOI: 10.1038/nature14964

Superconductive sodalite-like clathrate calcium hydride at high pressures
journal, April 2012

  • Wang, H.; Tse, J. S.; Tanaka, K.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 17
  • DOI: 10.1073/pnas.1118168109

First-principles study of lithium-doped carbon clathrates under pressure
journal, April 2008

  • Rey, Nicolas; Muñoz, Alfonso; Rodríguez-Hernández, Placida
  • Journal of Physics: Condensed Matter, Vol. 20, Issue 21
  • DOI: 10.1088/0953-8984/20/21/215218

Li-Filled, B-Substituted Carbon Clathrates
journal, September 2015

  • Zeng, Tao; Hoffmann, Roald; Nesper, Reinhard
  • Journal of the American Chemical Society, Vol. 137, Issue 39
  • DOI: 10.1021/jacs.5b07883

Hypothetical hard structures of carbon with cubic symmetry
journal, November 2006


Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures
journal, May 2006


Fermi surface nesting and the origin of charge density waves in metals
journal, April 2008


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


First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximation
journal, July 2005


Electronic structure of heavily doped graphene: The role of foreign atom states
journal, October 2007


Ytterbium-driven strong enhancement of electron-phonon coupling in graphene
journal, September 2014


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

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