4.6 Article

Simulating the effect of boron doping in superconducting carbon

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PHYSICAL REVIEW B
卷 97, 期 5, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.97.054501

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资金

  1. U.S. Department of Energy (DOE) [DE-FG02-06ER46286]
  2. Center for Computational Study of Excited-State Phenomena in Energy Materials at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]
  3. National Science Foundation [DMR-1508412]
  4. Theory of Materials Program at the Lawrence Berkeley National Lab - Office of Science and Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy [DE-AC02-05CH11231]
  5. Division Of Materials Research [1508412] Funding Source: National Science Foundation

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We examine 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.

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