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化合物Ho_3Co_2Al_4的结构精修及德拜温度 被引量：1

Structural refinement and Debye temperature of ternary compound Ho_3Co_2Al_4
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摘要 以电弧熔炼的方法制备了三元化合物Ho3Co2Al4的合金样品,利用X射线衍射技术对合金样品进行了物相分析,并利用Rietveld方法对Ho3Co2Al4的X射线粉末衍射数据进行全谱图拟合,成功地修正了该化合物的晶体结构并计算其德拜温度。Rietveld精修的可靠性因子为:Rp=0.083,Rwp=0.108。该化合物属六方晶系,为MgZn2结构类型,空间群为P63/mmc(No.194),点阵常数a=0.541 71(2)nm,c=0.860 86(4)nm。精修结果说明Co2Ho3Al4具有Co2Er3Al4结构,Ho和部分Co原子分别占据4f和2a位置,另一部分Co原子和Al原子混合占据6 h位置。不同于以往的德拜温度计算方法,根据德拜近似方法,利用Rietveld精修获得的Ho3Co2Al4的温度因子计算得到该化合物的德拜温度约为QD=354 K。 The ternary compound Ho3 Co2 A14 was prepared by arc-melting and examined by X-ray diffraction technique. Debye temperature of the compound was determined by using the Rietveld method based on the X-ray powder diffraction data. The crystal structure of Ho3Co2Al4 was successfully refined by the Rietveld method. The compound Ho3 Co2A14crystallizes in a hexagonal MgZn2- type structure with space group P63/mmc （No. 194）, the lattice parameters a =0. 541 71 （2） nm, c =0. 860 86（4） nm. In the structure, Ho and some Co atoms occupy the 4f and 2a sites, respectively, while the other Co atoms and A1 atoms are in the 6h sites. The temperature factors obtained from the Rietveld refinement was used to calculate the Debye temperature for the compound by the Debey approximation. The Debye temperature of Ho3Co2A14is D = 354 K.
作者 黄津梨 杨建龙 张吉亮 何维 刘奕新
机构地区 广西大学材料科学与工程学院 广西师范学院物理与电子工程学院
出处 《广西大学学报（自然科学版）》 CAS CSCD 北大核心 2010年第5期861-864,共4页 Journal of Guangxi University（Natural Science Edition）
基金 广西"新世纪十百千人才工程"专项资金(2007217) 广西自然科学基金项目(0832027)
关键词 德拜温度 X射线衍射 稀土金属间化合物 Debye temperature X-ray diffraction rare earth compound
分类号 O414 [理学—理论物理] O766 [理学—晶体学]
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参考文献14

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二级参考文献25

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广西大学学报（自然科学版）
2010年 第5期

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