Electronic and Magnetic Effects on Cu Doping Ti_2NiAl Heusler Alloy: A First-Principles Study

• Authors: X. Wei , Y. Chu , X. Sun , Y. E , T. Song , P. Guo
• Languages of publication: EN

Abstracts

EN

We investigate the effect of the electronic and magnetic properties on nonmagnetic Cu-3d atoms doping the Heusler alloy Ti_2Ni_{1-x}Cu_xAl (0 ≤ x ≤ 1) using first-principles calculations. The optimized lattice constants are consistent with the Vegard law, and energies of doped systems become more lower as the increase of x concentration. A critical transition diagram from half-metallic to metallic characters is discussed. In addition, the magnetic interactions between p and d states are illustrated. Finally, magnetic moments are given as a function of x value, which implies that the Slater-Pauling rule is obeyed at low Cu content (x ≤ 0.2).

Keywords

EN

71.20.Gj; 61.72.S-; 81.30.-t; 75.50.Cc

Discipline

• 81.30.-t: Phase diagrams and microstructures developed by solidification and solid-solid phase transformations(see also 64.70.K- Solid-solid transitions)
• 61.72.S-: Impurities in crystals
• 71.20.Gj: Other metals and alloys
• 75.50.Cc: Other ferromagnetic metals and alloys

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2014
• Volume: 126
• Issue: 3
• Pages: 795-798

Dates

published

2014-08

received

2013-11-05

(unknown)

2014-06-18

Contributors

author

X. Wei

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

author

Y. Chu

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

author

X. Sun

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

author

Y. E

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

author

T. Song

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

author

P. Guo

• The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, P.R. China

References

• [1] K. Özdoğan, I. Galanakis, J. Magn. Magn. Mater. 321, L34 (2009), doi: 10.1016/j.jmmm.2009.01.006
• [2] M. Meinert, J.M. Schmalhorst, G. Reiss, J. Phys., Condens. Matter 23, 116005 (2011), doi: 10.1088/0953-8984/23/11/116005
• [3] H. Luo, Z. Zhu, L. Ma, S. Xu, X. Zhu, C. Jiang, H. Xu, G. Wu, J. Phys. D, Appl. Phys. 41, 055010 (2008), doi: 10.1088/0022-3727/41/5/055010
• [4] J. Li, H. Chen, Y. Li, Y. Xiao, Z. Li, J. Appl. Phys. 105, 083717 (2009), doi: 10.1063/1.3116533
• [5] N. Zheng, Y.J. Jin, J. Magn. Magn. Mater. 324, 3099 (2012), doi: 10.1016/j.jmmm.2012.05.009
• [6] H.M. Huang, S.J. Luo, K.L. Yao, J. Magn. Magn. Mater. 324, 2560 (2012), doi: 10.1016/j.jmmm.2012.03.047
• [7] F. Ahmadian, J. Alloys Comp. 576, 279 (2013), doi: 10.1016/j.jallcom.2013.04.159
• [8] N. Kervan, S. Kervan, Intermetallics 37, 88 (2013), doi: 10.1016/j.intermet.2013.02.005
• [9] I. Galanakis, P.H. Dederichs, N. Papanikolaou, Phys. Rev. B 66, 174429 (2002), doi: 10.1103/PhysRevB.66.174429
• [10] S. Skaftouros, K. Özdoğan, E. Şaşıoğlu, I. Galanakis, Phys. Rev. B 87, 024420 (2013), doi: 10.1103/PhysRevB.87.024420
• [11] P.J. Webster, K.R.A. Ziebeck, in: Alloy and Compounds of $d$-Elements with Main Group Elements, Part 2, Ed. H.R.J. Wijn, Landolt-Börnstein, New Series, Group III, Vol. 19, Springer-Verlag, Berlin 1988, Pt. C, doi: 10.1007/10353201
• [12] C. Walle, L. Offernes, A. Kjekshus, J. Alloys Comp. 349, 105 (2003), doi: 10.1016/S0925-8388(02)00904-0
• [13] N.P. Duong, L.T. Hung, T.D. Hien, N.P. Thuy, N.T. Trung, E. Brück, J. Magn. Magn. Mater. 311, 605 (2007), doi: 10.1016/j.jmmm.2006.08.023
• [14] S.K. Ren, W.Q. Zou, J. Gao, X.L. Jiang, F.M. Zhang, Y.W. Du, J. Magn. Magn. Mater. 288, 276 (2005), doi: 10.1016/j.jmmm.2004.09.107
• [15] I. Galanakis, E. Şaşıoğlu, K. Özdoğan, Phys. Rev. B 77, 214417 (2008), doi: 10.1103/PhysRevB.77.214417
• [16] X.P. Wei, J.B. Deng, G.Y. Mao, S.B. Chu, X.R. Hu, Intermetallics 29, 86 (2012), doi: 10.1016/j.intermet.2012.05.002
• [17] F. Lei, C.C. Tang, S.J. Wang, W.C. He, J. Alloys Comp. 509, 5187 (2011), doi: 10.1016/j.jallcom.2011.02.002
• [18] K. Koepernik, H. Eschrig, Phys. Rev. B 59, 1743 (1999), doi: 10.1103/PhysRevB.59.1743
• [19] I. Opahle, K. Koepernik, H. Eschrig, Phys. Rev. B 60, 14035 (1999), doi: 10.1103/PhysRevB.60.14035
• [20] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), doi: 10.1103/PhysRevLett.77.3865
• [21] X.P. Wei, Y.D. Chu, X.W. Sun, J.B. Deng, Y.Z. Xing, J. Supercond. Nov. Magn. 27, 1099 (2014), doi: 10.1007/s10948-013-2370-6

Identifiers

DOI

10.12693/APhysPolA.126.795