Simulating the effect of boron doping in superconducting carbon

Sakai, Yuki; Chelikowsky, James R.; Cohen, Marvin L.

doi:10.1103/PhysRevB.97.054501

Title: Simulating the effect of boron doping in superconducting carbon

Journal Article · Thu Feb 01 00:00:00 EST 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.97.054501· OSTI ID:1544330

Sakai, Yuki ^[1]; Chelikowsky, James R. ^[2]; Cohen, Marvin L. ^[3]

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

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: FG02-06ER46286; AC02-05CH11231

OSTI ID:: 1544330

Alternate ID(s):: OSTI ID: 1419093

Journal Information:: Physical Review B, Vol. 97, Issue 5; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 15 works

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Cited By (1)

Structure–property correlations in phase-pure B-doped Q-carbon high-temperature superconductor with a record T _c = 55 K Bhaumik, Anagh; Narayan, Jagdish Nanoscale, Vol. 11, Issue 18 https://doi.org/10.1039/c9nr00562e	journal	January 2019