The Electronic Structures and Magnetic Properties of Co(endi)2(N3)2

Zhong Long Wang; Hui Jin Xu; Kai Lun Yao

doi:10.4028/www.scientific.net/AMR.217-218.1652

Paper Titles

Technical Parameters Model of Laser Direct Metal Deposition
p.1633

Research on Fully Mechanized Coal Face Hydraulic Support Selection Based on the Testing Principle of Floor Specific Pressure
p.1637

Pressure Regularity Study of Three Soft Complex Coal Caving Coal Face
p.1641

Prediction of Coal Production Based on BP Neural Network
p.1647

The Electronic Structures and Magnetic Properties of Co(endi)₂(N₃)₂
p.1652

Numerical Analysis about Flexural Strengthening Reinforced Concrete Beams by Bolting Steel Plates
p.1658

Detection and Linking Algorithm Based on Improved Snake Model for Pores with Weak Contour
p.1663

Strength Prediction and Test of FRP Composite Laminates with Central Hole
p.1669

Synthesis, Characterization and Oxidation Behavior of a Novel Curable Liquid Polysilane Precursors for C/C-SiC Composite
p.1673

HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 217-218The Electronic Structures and Magnetic Properties...

The Electronic Structures and Magnetic Properties of Co(endi)₂(N₃)₂

Abstract:

The electronic structures and magnetic properties of the compound Co(endi)2(N3)2 are studied by means of the first-principles method. According to the calculations, there is ferromagnetic interaction in the compound, and the magnetic coupling comes from the spin delocalization effect from Co2+ to the azide ligand. It is found that there is strong intralayer and weak interlayer magnetic couplings in the compound. It also reveals semi-metallically magnetic properties.

You might also be interested in these eBooks

High Performance Structures and Materials Engineering

View Preview

Info:

Periodical:

Advanced Materials Research (Volumes 217-218)

Pages:

1652-1657

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.217-218.1652

Citation:

Cite this paper

Online since:

March 2011

Authors:

Zhong Long Wang, Hui Jin Xu, Kai Lun Yao

Keywords:

Density Function Theory (DFT), First Principles Methods, Magnetically Ordered Materials, Molecule Magnet

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

References

[1] O. Kahn, S. Sikorav, J. Gouteron, S. Jeannin, and Y. Jeannin: Inorganic Chemistry 22 (1983), 2877.

Google Scholar

[2] J. S. MILLER, A. J. EPSTEIN, and W. M. REIFF: Science 240 (1988), 40.

Google Scholar

[3] R. Chiarelli, M. A. Novak, A. Rassat, and J. L. Tholence: Nature 363 (1993), 147.

Google Scholar

[4] A. Escuer, R. Vicente, J. Ribas, M. S. El Fallah, X. Solans, and M. Font-Bardia: Inorganic Chemistry 32 (1993), 3727.

DOI: 10.1021/ic00069a030

Google Scholar

[5] R. Cortes, J. L. Pizarro, L. Lezama, M. I. Arriortua, and T. Rojo: Inorganic Chemistry 33 (1994), 2697.

Google Scholar

[6] S. S. Tandon, L. K. Thompson, M. E. Manuel, and J. N. Bridson: Inorganic Chemistry 33 (1994), 5555.

Google Scholar

[7] A. Escuer, R. Vicente, F. A. Mautner, and M. A. S. Goher: Inorganic Chemistry 36 (1997), 1233.

Google Scholar

[8] Y. Nakazawa, M. Tamura, N. Shirakawa, D. Shiomi, M. Takahashi, M. Kinoshita, and M. Ishikawa: Physical Review B 46 (1992), 8906.

Google Scholar

[9] J. S. Miller, A. J. Epstein, and W. M. Reiff: Science 240 (1998), 40.

Google Scholar

[10] Y. S. Zhang, K. L. Yao, and Z. L. Liu: Physica B: Condensed Matter 358 (2005), 216.

Google Scholar

[11] S. W. Fan, K. L. Yao, and Z. L. Liu: Applied Physics Letters 94 (2009).

Google Scholar

[12] R. Li, X. Wang, T. Liu, H. Xu, F. Zhao, Z. Wang, and S. Gao: Inorg. Chem 47 (2008), 8134.

Google Scholar

[13] P. Blaha, K. Schwarz, G. Madsen, D. kvasnicka, and J. Luitz, WIEN2K, an Augmented Plane Wave+ Local orbitals program for calculating crystal properties (Karlheinz Schwarz, Technische Universitat, Wien, Austria) (ISBN 3-9501031-1-2, 2001).

Google Scholar

[14] J. P. Perdew, K. Burke, and M. Ernzerhof: Physical Review Letters 77 (1996), 3865.

Google Scholar