Ferromagnetic states in Fe-Ru systems studied by ab initio calculation and ion-beam mixing

被引:4
作者
He, Xiang [1 ]
Wang, Wen-Chao [1 ]
Liu, Bai-Xin [1 ]
机构
[1] Tsing Hua Univ, Dept Mat Sci & Engn, Adv Mat Lab, Beijing 100084, Peoples R China
关键词
D O I
10.1103/PhysRevB.77.012401
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Ab initio calculations reveal that Fe3Ru alloys of the D0(3), A15, and D0(22) structures will behave as ferromagnets. Moreover, Fe50Ru50 alloys of L2(a), B2, and alpha-NiAs structures will also behave ferromagnetically. In ion-beam-mixing experiments, a magnetic Fe50Ru50 alloy of B2, i.e., bcc, structure is obtained at a dose of 1x10(15) Xe+/cm(2). Interestingly, a nonmagnetic Fe50Ru50 alloy of L1(0), i.e., fcc, structure is also obtained under the same conditions and the predictions are in agreement with observations obtained from ion-beam-mixing experiments and magnetism measurements.
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页数:4
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共 19 条
[1]   ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF DILUTE FE ALLOYS WITH TRANSITION-METAL IMPURITIES [J].
DRITTLER, B ;
STEFANOU, N ;
BLUGEL, S ;
ZELLER, R ;
DEDERICHS, PH .
PHYSICAL REVIEW B, 1989, 40 (12) :8203-8212
[2]   SOFT MAGNETIC-PROPERTIES OF FERUGASI ALLOY-FILMS - SOFMAX [J].
HAYASHI, K ;
HAYAKAWA, M ;
ISHIKAWA, W ;
OCHIAI, Y ;
IWASAKI, Y ;
ASO, K .
JOURNAL OF APPLIED PHYSICS, 1988, 64 (02) :772-779
[3]   THE EFFECT OF ADDITION OF RU TO FE ON THE ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES [J].
KOBAYASHI, M ;
ANDO, N ;
KAI, TS ;
TAKANO, N ;
SHIIKI, K .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1995, 7 (49) :9607-9614
[4]   Correlation of magnetic moment versus spacing distance of metastable fcc structured iron [J].
Kong, LT ;
Liu, BX .
APPLIED PHYSICS LETTERS, 2004, 84 (18) :3627-3629
[5]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[6]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561
[7]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[8]   Irradiation induced amorphization in metallic multilayers and calculation of glass-forming ability from atomistic potential in the binary metal systems [J].
Liu, BX ;
Lai, WS ;
Zhang, Q .
MATERIALS SCIENCE & ENGINEERING R-REPORTS, 2000, 29 (1-2) :1-48
[9]   Solid-state crystal-to-amorphous transition in metal-metal multilayers and its thermodynamic and atomistic modelling [J].
Liu, BX ;
Lai, WS ;
Zhang, ZJ .
ADVANCES IN PHYSICS, 2001, 50 (04) :367-429
[10]  
MONKHORST HJ, 1976, PHYS REV B, V13, P5188, DOI [10.1103/PhysRevB.13.5188, 10.1103/PhysRevB.16.1746]