A calculation of the densities of states of some amorphous Zr transition-metal alloys
A calculation of the densities of states of some amorphous Zr transition-metal alloys
复制标题
一些非晶Zr过渡金属合金态密度的计算
DOI：
10.1088/0305-4608/16/3/011
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发表时间：
1986
期刊：
影响因子：
--
通讯作者：
E. Babić
中科院分区：
文献类型：
--
作者：
J. Xanthakis;R. L. Jacobs;E. Babić
本文计算了非晶态ZrcT_（1-c）合金（T=Fe，Co，Ni或Cu）的态密度。计算方法是作者分析Ag和Cu合金中杂质虚束缚态（1985）的方法的改进。在费米能级的计算的态密度的值被用来得出有关的磁化率chi和比热系数γ的讨论作为Zr浓度的函数，c的结论。与一些实验趋势的协议，并获得，特别是，减少在chi的γ随着增加c在ZrcCo 1-c和ZrcFe 1-c合金可以理解。这种行为归因于Co或Fe d带与Zr d带的紧密接近。
Calculations of the densities of states of amorphous ZrcT1-c alloys where T=Fe, Co, Ni or Cu, are presented. The method of calculation is an adaptation of the method used by the authors to analyse the virtual bound states on impurities in Ag and Cu alloys (1985). The values of the calculated densities of states at the Fermi level are used to draw conclusions concerning the magnetic susceptibilities chi and the specific heat coefficients gamma which are discussed as a function of Zr concentration, c. Agreement with some experimental trends is obtained and, in particular, a decrease in chi of gamma with increasing c in ZrcCo1-c and ZrcFe1-c alloys can be understood. This behaviour is attributed to the close proximity of the Co or Fe d band to the Zr d band.