The structural, elastic, phonon, thermal and electronic properties of MnX (X=Ni, Pd and Pt) alloys: First-principles calculations

Journal of Magnetism and Magnetic Materials

Volumn 333, Issue , 2013, Pages 93-99

  Wang, Junfei ^a   Gao, Aihua ^a   Chen, Wenzhou ^a   Zhang, X D ^a   Zhou, Bo ^a   Jiang, Zhenyi ^a  

^a NORTHWEST UNIVERSITY   (China)

Author keywords

Elastic constant; Electronic structure; First principles calculation; Intermetallic; Martensitic phase transformation

Indexed keywords

ANTIFERROMAGNETICS; DRIVING FORCES; ENTROPIC CONTRIBUTIONS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; MARTENSITIC PHASE TRANSFORMATIONS; NEAREST-NEIGHBORS; NEGATIVE SHEAR MODULUS; PHONON DISPERSIONS; POISSON'S RATIO; STRUCTURAL PHASIS; TETRAGONAL DISTORTION; THERMAL VIBRATION; TOTAL ENERGY; TYPE STRUCTURES; VALENCE ELECTRON CONCENTRATION;

ANTIFERROMAGNETISM; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INTERMETALLICS; MANGANESE; PARAMAGNETISM; PHASE STABILITY; PHONONS; PLATINUM ALLOYS;

CALCULATIONS;

EID: 84874179095     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2012.12.050     Document Type: Article

References (36)

1. T. Lin, G.L. Gorman, and C. Tsang Antiferromagnetic and hard-magnetic stabilization schemes for magnetorestiv e sensors IEEE Transactions on Magnetics 32 1996 3443 3445
2. S. Honda, M. Nawate, and T. Norikane Exchange interaction in MnPt/FeCo sputtered multilayers Journal of Magnetism and Magnetic Materials 220 2000 85 95
3. S. Groudeva-Zotova, D. Elefant, R. Kaltofen, D. Tietjen, J. Thomas, V. Hoffmann, and C.M. Schneider Magnetic and structural characteristics of exchange biasing systems based on NiMn antiferromagnetic films Journal of Magnetism and Magnetic Materials 263 2003 57 71
4. L. Pál, F. Krén, G. Kádár, P. Szabó, and T. Tarnóczi Magnetic structures and phase transformations in Mn-Based CuAu-I type alloys Journal of Applied Physics 39 1968 538 544
5. S.E. Kulkova, and V.E. Egorushkin Electronic structure of NiMn(Ti) alloys and the influence of Ti on the temper ature of the martensitic transitions Material Science and Engineering A 273-275 1999 170 174
6. L. Ding, P.F. Ladwig, X. Yan, and Y.A. Chang Thermodynamic stability and diffusivity of near-equiatomic Ni-M n alloys Applied Physics Letters 80 2002 1186 1188
7. F. Delbecq, L. Verite, and P. Sautet Electronic structure and magnetism of ordered palladium-manganese and palladium-chromium alloys Chemistry of Materials 9 1997 3072 3082
8. R.Y. Umetsu, K. Fukamichi, and A Sakuma Electrical and calorimetric evidences of a pseudo-gap in antiferromag netic equiatomic MnPd alloy Journal of Magnetism and Magnetic Materials 239 2002 530 532
9. R.Y. Umetsu, K. Fukamichi, and A. Sakuma Effective exchange constant and electronic structure of pseudo-Ga p-type L10-MnPd alloys Journal of the Physical Society of Japan 75 2006 104714 104722
10. P.F. Ladwig, and Y.A. Chang Paramagnetic to antiferromagnetic phase transformation insputter deposited Pt-Mn thin films Journal of Applied Physics 94 2003 979 987
11. E. Raub, and W. Mahler Alloys of manganese with platinum, iridium, rhodium, and ruthenium Zeitschrift für Metallkunde 46 1955 282 290
12. G. Kresse, and J. Hafner Ab initio molecular dynamics for liquid metals Physical Review B 47 1993 558 561
13. P.E. Blöchl Projector augmented-wave method Physical Review B 50 1994 17953 17979
14. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Physical Review Letters 77 1996 3865 3868
15. H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone intergrations Revision B 13 1976 5188 5192
16. 2 Physical Review Letters 78 1997 4063 4066
17. K. Parlinski, PHONON Software, Cracow, 2008.
18. W. Voigt Lehrbuch der Kristallphysik 1928 Teubner Leipzig
19. A. Reuss Berechnung der Fliessgrenze von Mischkristallen auf Grund der Plastizitaettsbediengung fuer EinK ristalle Zeitschrift Fur Angewandte Mathematik Und Mechanik 9 1929 49 58
20. 1.8 from first principles Physical Review B 84 2011 014421 014430
21. 0 Ordered 3d/AU Superlattices Materials Transactions 44 2003 1529 1534
22. V.E. Egorushkin, S.N. Kulkov, and S.E. Kulkova Electronic structure and the theory of phase transformations in NiMn Physica B+C 123 1983 61 68
23. '=Rh, Pd) with CuAu-I type ordered structure Journal of Alloys and Compounds 415 2006 31 37
24. E. Krén, M. Cselik, G. Kádár, and L. Pál Magnetic structure transformation in MnPt Physics Letters A 24 1967 198 199
25. M. Zarinejad, and Y. Liu Dependence of transformation tempertures of NiTi-based shape-memory alloys on the number and concentration of valence electrons Functional Materials 18 2008 2789 2794
26. M. Zarinejad, Y. Liu, and T.J. White The crystal chemistry of martensite in NiTiHf shape memory alloys Intermetallics 16 2008 876 883
27. J.T. Wang, Z.Q. Li, L. Zhou, Y. Kawazoe, and D.S. Wang Stabilities of spin configuration and exchange interactions in (Cr, Mn, Fe)/Ag monatomic multilayers Physical Review B 59 1999 6974 6978
28. X.D. Ding, T. Suzuki, J. Sun, X. Ren, and K. Otsuka Study on elastic constant softening in stress-induced marten sitic transformation by molecular dynamics simulation Materials Science and Engineering A 438-440 2006 113 117
29. J.Q. Hu, M. Xie, Y. Pan, Y.C. Yang, M.M. Liu, and J.M. Zhang The electronic, elastic and structural properties of Pd-Zr intermetallic Computational Materials Science 51 2012 1 6
30. 2 Journal of Applied Physics 84 1998 4891 4904
31. 3X (X=B, C,N) from density-functional theory calculations Journal of Magnetism and Magnetic Materials 324 2012 2271 2276
32. R. Tarumi, Y. Yoshimoto, S. Shiomi, H. Ogi, M. Hirao, and A.P. Tsai Low temperature elastic and anelastic properties of an i-AlPdMn single quasicrystal Materials Science and Engineering A 442 2006 39 42
33. B.Y. Tang, P. Chen, D.L. Li, J.X. Yi, L Wen, L.M. Peng, and W.J. Ding First-principles investigation of the stru ctural and mechanical properties of β″ phase in Mg-Gd alloy system Journal of Alloys and Compounds 492 2010 416 420
34. 0 and B2-Type MnRh Equiatomic Alloys Journal of the Physical Society of Japan 76 2007 104712 104717
35. S.F. Pugh XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals Philosophical Magazine 45 1954 823 843
36. 2 phases in Mg-Sc-Zn alloy Journal of Alloys and Compounds 506 2010 412 417