Effect of Alloying on Magnetism and Electronic Structure of Gd(In_{1-x}Snₓ)₃ System - ab initio Study

• Authors: J. Deniszczyk , A. Bajorek , G. Chełkowska , E. Zipper
• Languages of publication: EN

Abstracts

EN

We present the results of ab initio study of electronic and magnetic properties of Gd(In_{1-x}Snₓ)₃ alloys carried out with the use of FP-LAPW method. Our precise ab initio calculations for the first time uniquelly confirmed experimentally based predictions that the ground state magnetic structure of the alloys is antiferromagnetic and that upon the In/Sn substitution the magnetic structure undergo transition, changing the antiferromagnetic ordering from the (π00)-type for the GdSn₃ compound to the (ππ0)-type for the GdIn₃ one. Moreover, calculations gave an explanation of the oscillatory variation of density of states at Fermi level indicated by XPS measurements.

Keywords

EN

71.20.Be; 79.60.Bm

Discipline

• 71.20.Be: Transition metals and alloys
• 79.60.Bm: Clean metal, semiconductor, and insulator surfaces

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 127
• Issue: 2
• Pages: 427-429

Dates

published

2015-02

Contributors

author

J. Deniszczyk

• Institute of Materials Science, University of Silesia, 57 Pułku Piechoty 1, 41-500 Chorzów, Poland

author

A. Bajorek

• August Chełkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

author

G. Chełkowska

• August Chełkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

author

E. Zipper

• August Chełkowski Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

References

• [1] T. Yuen, C.L. Lin, T. Mihalisin, N. Bykovetz, J. Appl. Phys. 70, 5995 (1991), doi: 10.1063/1.350072
• [2] C.L. Lin, T. Yuen, T. Mihalisin, Phys. Rev. B 54, 9254 (1996), doi: 10.1103/PhysRevB.54.9254
• [3] A.E. Baranovskiy, G.R. Grechnew, A.S. Panfilov, I.V. Svechkarev, A. Hackemer, M. Solyga, A. Czopnik, Czech. J. Phys. 54, D351 (2004), doi: 10.1007/s10582-004-0099-y
• [4] K. Kwiecień, G. Chełkowska, A. Berlińska, Mater. Sci.-Poland 25, 411 (2007)
• [5] K. Schwarz, P. Blaha, G.K.H. Madsen, Comp. Phys. Commun. 147, 71 (2002), doi: 10.1016/S0010-4655(02)00206-0
• [6] D. J. Singh, L. Nordström, Plane waves, pseudopotentials and the LAPW method, Springer, New York 2006, doi: 10.1007/978-0-387-29684-5
• [7] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), doi: 10.1103/PhysRevLett.77.3865
• [8] V.I. Anisimov, F. Aryasetiawan, A.I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997), doi: 10.1088/0953-8984/9/4/002
• [9] L.K. Teles, J. Furthmüller, L.M.R. Scolfaro, J.R. Leite, F. Bechstedt, Phys. Rev. B 62, 2475 (2000), doi: 10.1103/PhysRevB.62.2475
• [10] A. Hasegawa, J. Phys. Soc. Japan 50, 3313 (1981), doi: 10.1143/JPSJ.50.3313
• [11] T. Shao-ping, Z. Kai-ming, X. Xi-de, J. Phys.: Condens. Matter 1, 2677 (1989), doi: 10.1088/0953-8984/1/16/003
• [12] A.M Toxen, R.J. Gambino, L.B. Welsh, Phys. Rev. B 8, 90 (1973), doi: 10.1103/PhysRevB.8.90
• [13] T. Moriya, Spin Fluctuations in Itinerant Electron Magnetism, Springer Series in Solid-State Sciences, Ed. P. Fulde, Springer, Berlin 1985, vol. 56, doi: 10.1007/978-3-642-82499-9
• [14] N.E. Christensen, O. Gunnarson, O. Jepsen, O.K. Andersen, J. de Physique 49, C8-17 (1988), doi: 10.1051/jphyscol:1988803

Identifiers

DOI

10.12693/APhysPolA.127.427