Structural stability and structural imitation of La2Co17-xMx (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si)

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	Structural stability and structural imitation of La2Co17-xMx (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si)
	H. Chang; N. X. Chen; J. K. Liang; G. H. Rao
	2003
发表期刊	European Physical Journal B
ISSN	1434-6028
卷号	33 期号:1 页码:55-60
摘要	The structural stability of La2Co17- xMx ( M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si) based on the interatomic potential has been studied. The calculated site preference of the third element M is found to be the 6c site, which is in agreement with the experiments. In the calculations, if the crystal cohesive energy of La2Co16Mn is taken as the highest one in the crystallization of La2Co17- xMx, the lowest content x of the third element M ( M = Mn, Mo, Nb, Ti and V) required to stabilize La2Co17- xMx, is near that found in the experiments. The differences of the cell parameters between the calculated and the experimental values are less than 0.4%. The differences of the atomic parameters for Co ( or M) between the calculated and the experimental values are about or even smaller than 1%, and that of La is about 3%. Because the energies of La( Co1-xAlx)(13) are lower than those of La-2(Co1-xAlx)(17), La-2(Co1- xAlx)(17) could not be formed in the experiments. In the calculations, with either a range of deformation of the structure or the reconstruction of the initial structure La2Co17 from LaCo5, the same results including the cohesive energy curves and the crystallographic parameters can be retrieved after the action of the interatomic potentials.
部门归属	chinese acad sci, inst phys, beijing 100080, peoples r china. chinese acad sci, ctr condensed matter phys, beijing 100080, peoples r china. tsing hua univ, dept phys, beijing 100084, peoples r china. beijing univ sci & technol, inst appl phys, beijing 100083, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chang, h (reprint author), chinese acad sci, inst phys, pob 603, beijing 100080, peoples r china
关键词	Uniaxial Magnetocrystalline Anisotropy Magnetic-properties Intermetallics
URL	查看原文
WOS记录号	WOS:000183776300008
引用统计	被引频次：18[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35792
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Chang,N. X. Chen,J. K. Liang,et al. Structural stability and structural imitation of La2Co17-xMx (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si)[J]. European Physical Journal B,2003,33(1):55-60.
APA	H. Chang,N. X. Chen,J. K. Liang,&G. H. Rao.(2003).Structural stability and structural imitation of La2Co17-xMx (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si).European Physical Journal B,33(1),55-60.
MLA	H. Chang,et al."Structural stability and structural imitation of La2Co17-xMx (M = Mn, Mo, Nb, Ti, V, Al, Cr, Ni and Si)".European Physical Journal B 33.1(2003):55-60.