First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2
2
International Center of Materials Physics, The Chinese Academy of Science, Shenyang 110015, PR China
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Publication type: Journal Article
Publication date: 2007-05-01
scimago Q2
wos Q2
SJR: 0.521
CiteScore: 5.1
Impact factor: 3.0
ISSN: 03048853, 18734766
Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Abstract
First-principles full potential linearized augmented plane wave (FPLAPW) calculations have been performed to study the electronic structure and the magnetic properties of 3-Cyanobenzo-1,3,2-dithiazolyl,C7H3S2N2. The density of states (DOS), the total energy of the cell, and the spontaneous magnetic moment of C7H3S2N2 were all calculated. The calculations reveal that the low-temperature phase of the compound C7H3S2N2 has a stable metal-antiferromagnetic ground state, and there exists an antiferromagnetically coupled interactions between the dithiazolyl radical(1), which is in good agreement with experiment. (C) 2006 Elsevier B.V. All rights reserved.
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Li Y. et al. First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2 // Journal of Magnetism and Magnetic Materials. 2007. Vol. 312. No. 1. p. L1-L4.
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Li Y., YAO K. L., Liu Z. L. First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2 // Journal of Magnetism and Magnetic Materials. 2007. Vol. 312. No. 1. p. L1-L4.
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TY - JOUR
DO - 10.1016/j.jmmm.2006.08.028
UR - https://doi.org/10.1016/j.jmmm.2006.08.028
TI - First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2
T2 - Journal of Magnetism and Magnetic Materials
AU - Li, Y.C.
AU - YAO, K. L.
AU - Liu, Z. L.
PY - 2007
DA - 2007/05/01
PB - Elsevier
SP - L1-L4
IS - 1
VL - 312
SN - 0304-8853
SN - 1873-4766
ER -
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BibTex (up to 50 authors)
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@article{2007_Li,
author = {Y.C. Li and K. L. YAO and Z. L. Liu},
title = {First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2},
journal = {Journal of Magnetism and Magnetic Materials},
year = {2007},
volume = {312},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016/j.jmmm.2006.08.028},
number = {1},
pages = {L1--L4},
doi = {10.1016/j.jmmm.2006.08.028}
}
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MLA
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Li, Y.C., et al. “First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2.” Journal of Magnetism and Magnetic Materials, vol. 312, no. 1, May. 2007, pp. L1-L4. https://doi.org/10.1016/j.jmmm.2006.08.028.