Full Text:
<2256>
CLC number: O481.1; O482.5
On-line Access:
Received: 2000-11-25
Revision Accepted: 2001-07-06
Crosschecked: 0000-00-00
Cited: 0
Clicked: 4682
Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)
| |||||||||||||
TAN Ming-qiu, TAO Xiang-ming, HE Jun-hui, CAO Song. Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)[J]. Journal of Zhejiang University Science A, 2002, 3(1): 86-90.
@article{title="Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)",
author="TAN Ming-qiu, TAO Xiang-ming, HE Jun-hui, CAO Song",
journal="Journal of Zhejiang University Science A",
volume="3",
number="1",
pages="86-90",
year="2002",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.2002.0086"
}
%0 Journal Article
%T Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)
%A TAN Ming-qiu
%A TAO Xiang-ming
%A HE Jun-hui
%A CAO Song
%J Journal of Zhejiang University SCIENCE A
%V 3
%N 1
%P 86-90
%@ 1869-1951
%D 2002
%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.2002.0086
TY - JOUR
T1 - Electronic structure and magnetism of RMn6 Sn6 (R=Tb,Dy)
A1 - TAN Ming-qiu
A1 - TAO Xiang-ming
A1 - HE Jun-hui
A1 - CAO Song
J0 - Journal of Zhejiang University Science A
VL - 3
IS - 1
SP - 86
EP - 90
%@ 1869-1951
Y1 - 2002
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.2002.0086
Abstract: This article reports first-principles band structure calculations for RMn6Sn6 (R=Tb, Dy). The calculation uses the linear muffin-tin orbitals (LMTO) method in the atomic-sphere-approximation (ASA), and yields results showing that both TbMn6Sn6 and DyMn6Sn6 are ferrimagnetic compounds with antiparallel aligned moments of R and Mn atoms. In this research the 4f states of R atoms are treated as localized states, i.e., the hybridization of 4f states with other valence electrons is neglected. The moments of Mn in both compounds were determined to be 2.43 μB and 2.38 μB, respectively. The considerably small additional moments for Mn from the spin-orbit coupling indicates that the spin-orbital coupling is not dominated for Mn atoms. The total moments of Tb and Dy atoms are 10.28 μB and 11.20 μB. All the calculation findings accorded well with experimental results.
[1] Andersen,O.K., 1975. Linear methods in band theory. Phys. Rev., B12:3060-3083.
[2] Bin,M.I., Jansen,H.J.F., Oguchi,T., et al., 1986. Total-energy local-density studies of the α-γ phase transition in Ce. Phys. Rev., B34:369-378.
[3] Campagna,M., Werrheim,G.K., Bear,Y., 1979. Photoemission in Solids, Vol. II, edited by Ley L. and Cardona M. Berlin, Springer-Verlag.
[4] Chafik El Idrissi,B., Venturini,G., Malaman,B., 1991a. Refinement of HfFe6Ce6 isostructural ScMn6Sn6 and TbMn6Sn6. Mater. Res. Bull., 26:431-437.
[5] Chafik El Idrissi,B., Venturini,G., Malaman,B., et al., 1991b. Magnetic structures of TbMn6Sn6 and HoMn6Sn6 compounds from neutron diffraction study. Less-Common Met., 175:143-154.
[6] Hakken,H., Wolf,H.C., 1984. Atomic and Quantum Physics. Berlin Springer-Verlag.
[7] Hund,F., 1927. Linienspektren und periodisches der Elements. Berlin: Julius Springer.
[8] Jepsen,O., Andersen,O.K., 1971. The electronic structure of h.c.p. Ytterbium. Solid State Commun., 9:1763-1767.
[9] Malaman,B., Venturini,G., Roques,B., 1988. New ternary stannides: MMn6Sn6 (M=Sc, Y, Sm, Gd-Tm, Lu) and ScFe6Sn6. Mater. Res. Bull., 23:1629-1633.
[10] Malaman,B., Venturini,G., Welter,R., et al., 1999. Magnetic properties of RMn6Sn6 (R=Gd-Er) compounds from neutron diffraction and Mossbauer measurements. J. Magn. Magn. Mater., 202:519-534.
[11] Pethkhov,A.G., Lambrecht,W.R.L., Segall,B., 1996. Electronic structure of rare earth pnictides. Phys. Rev., B53:4324-4339.
[12] Tan,M.Q., Tao,X.M., Bao,S.N., 2000. Ab initio study on the electronic structure and magnetism of MnAs, MnSb, and MnBi. Chin. Phys., 9:55-60.
[13] Venturini,G., Welter,R., Malaman,B., 1993a. Room tempe-rature variation in the threshold fields in RxY1-xMn6Sn6 (R=Ce-Nd, Sm, Gd-Ho) solid solutions. J. Alloys & Compounds, 197:101-104.
[14] Venturini,G., Welter,R., Ressouche,E., et al., 1993b. Magnetic structure of YMn6Sn6 and room temperature magnetic structure of LuMn6Sn6 obtained from neutron diffraction study. J. Alloys & Compounds, 200:51-57.
[15] Venturini,G., Fruchart,D., Malaman,B., 1996. Incommensurate magnetic structures of RMn6Sn6 (R=Sc, Y, Lu) compounds from neutron diffraction study. J. Alloys & Compounds, 236:102-110.
[16] Von Barth,U., Hedin,L., 1972. A local exchange-correlation potential for the spin polarized Case: I. J. Phys., C5:1629-1642.
Open peer comments: Debate/Discuss/Question/Opinion
<1>