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Title: Magnetism in amorphous carbon

Abstract

We investigate reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simulations to obtain amorphous carbon structures with the desired magnetization. Here, we show the existence of sp 2-like threefold coordinated carbon atoms plays an important role in causing magnetism in amorphous carbon. We predict detailed geometries of threefold carbon atoms that induce the magnetic order in amorphous carbon.

Authors:
 [1];  [1];  [2]
  1. The Univ. of Texas at Austin, Austin, TX (United States)
  2. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1544251
Alternate Identifier(s):
OSTI ID: 1460142
Grant/Contract Number:  
FG02-06ER46286; AC02-05CH11231; DMR-1508412
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 7; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Sakai, Yuki, Chelikowsky, James R., and Cohen, Marvin L. Magnetism in amorphous carbon. United States: N. p., 2018. Web. doi:10.1103/PhysRevMaterials.2.074403.
Sakai, Yuki, Chelikowsky, James R., & Cohen, Marvin L. Magnetism in amorphous carbon. United States. doi:10.1103/PhysRevMaterials.2.074403.
Sakai, Yuki, Chelikowsky, James R., and Cohen, Marvin L. Fri . "Magnetism in amorphous carbon". United States. doi:10.1103/PhysRevMaterials.2.074403. https://www.osti.gov/servlets/purl/1544251.
@article{osti_1544251,
title = {Magnetism in amorphous carbon},
author = {Sakai, Yuki and Chelikowsky, James R. and Cohen, Marvin L.},
abstractNote = {We investigate reported ferromagnetism in a new form of amorphous carbon. We use spin constrained first-principles simulations to obtain amorphous carbon structures with the desired magnetization. Here, we show the existence of sp2-like threefold coordinated carbon atoms plays an important role in causing magnetism in amorphous carbon. We predict detailed geometries of threefold carbon atoms that induce the magnetic order in amorphous carbon.},
doi = {10.1103/PhysRevMaterials.2.074403},
journal = {Physical Review Materials},
number = 7,
volume = 2,
place = {United States},
year = {2018},
month = {7}
}

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Free Publicly Available Full Text
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Cited by: 4 works
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