Browse > Article
http://dx.doi.org/10.4283/JKMS.2006.16.2.115

Calculation of the Magnitude of the Coulomb Correlation and Magnetic Moment of Cr2Te3  

Youn, Suk-Joo (Department of Physics Education and Research Institute of Natural Science, Gyeongsang national University)
Kwon, Se-Kyun (Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology)
Publication Information
Journal of the Korean Magnetics Society / v.16, no.2, 2006 , pp. 115-120 More about this Journal
Abstract
Electronic and magnetic structure of $Cr_2Te_3$ have been studied, which is a material with complex magnetic structure. Density of states and magnetic moments show better agreement with experiments than LDA if they are obtained with the correlation effect of Cr-d electrons taken into account by the LDA+U method. In these calculations, the magnitude of the correlation effect is found to be 1.7 eV. It is shown that the magnitude of experimental magnetic moments of Cr atoms can be explained if the ferromagnetic states and the ferrimagnetic states have the same energy to be degenerate.
Keywords
$Cr_2Te_3$; electronic structure calculation; magnetic moment; LDA+U;
Citations & Related Records
연도 인용수 순위
  • Reference
1 T. Hamasaki, T. Hashimoto, Y. Yamaguchi, and H. Watanabe, Solid State Commun. 16, 895(1975)   DOI   ScienceOn
2 M. Koyama, H. Sato, Y. Ueda, C. Hirai, and M. Taniguchi, J. Electron Spect. Rel. Phenom. 144-147, 885(2005)   DOI   ScienceOn
3 S. K. Kwon and B. I. Min, Phys. Rev. Lett. 84, 3970(2000)   DOI   ScienceOn
4 K. Sato, Y. Aman, M. Hirai, and M. Fujisawa, J. Phys. Soc. Jpn. 59, 435(1990)   DOI
5 K. Yaji, A. Kimura, C. Hirai, M. Taniguchi, M. Koyama, H. Sato, K. Shimada, A. Tanaka, T. Muro, S. Imada, and S. Suga, Phys. Rev. B 70, 064402(2004)   DOI   ScienceOn
6 K. Shimada, T. Saitoh, H. Namatame, A. Fujimori, S. Ishida, S. Asano, M. Matoba, and S. Anzai, Phys. Rev. B 53, 7673 (1996)   DOI   ScienceOn
7 M. Yuzuri, T. Kanomata, and T. Kaneko, J. Mag. Mag. Mat. 70, 223(1987)   DOI   ScienceOn
8 J. Dijkstra, H. H. Weitering, C. F. van Bruggen, C. Haas, and R. A. de Groot, J. Phys.: Condens. Matter 1, 9141(1989)   DOI   ScienceOn
9 W. Kohn and L. J. Sham, Phys. Rev. 140, A1133(1965)   DOI
10 O. K. Andersen, Phys. Rev. B 12, 3060(1975)   DOI
11 U. von Barth and L. Hedin, J. Phys. C: Solid State Phys. 5, 1629(1972)   DOI   ScienceOn
12 J. Rath and A. J. Freeman, Phys. Rev. B. 11, 2109(1975)   DOI
13 V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B. 44, 943(1991)   DOI   ScienceOn
14 A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen, Phys. Rev. B. 52, R5467 (1995)   DOI   ScienceOn
15 T. Kanomata, Y. Sugawara, K. Kamishima, H. Mitamura, T. Goto, S. Ohta, and T. Kaneko, J. Mag. Mag. Mat. 177-181, 589(1998)   DOI   ScienceOn
16 J. C. Slater, Quantum theory of Molecules and Solids (McGraw-Hill, New York, 1974)
17 S. Anzai, Physica B 237-238, 142(1997)   DOI   ScienceOn