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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]
  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.
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.
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.
@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}
}

Journal Article:
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