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

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

doi:10.1103/physrevmaterials.3.084802

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

Journal Article · Wed Aug 07 00:00:00 EDT 2019 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.3.084802· OSTI ID:1601649

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

Univ. of Texas, Austin, TX (United States). Center for Computational Materials, Oden Inst. for Computational Engineering and Sciences
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

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

OSTI ID:: 1601649

Alternate ID(s):: OSTI ID: 1547954

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 8 Vol. 3; ISSN PRMHAR; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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