首页> 外文期刊>Zeitschrift fur Naturforschung. A, A journal of physical sciences >Study of the EFG Trends in Zr_2T (T = Fe, Co, Ni) Intermetallic Compounds
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Study of the EFG Trends in Zr_2T (T = Fe, Co, Ni) Intermetallic Compounds

机译:Zr_2T(T = Fe,Co,Ni)金属间化合物的EFG趋势研究

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We use the linear muffin-tin orbital formalism, in the atomic sphere approximation, to investigate the trends of the electric field gradient (EFG) at the nucleus for the non-equivalent sites in Zr_2T (T = Fe, Co and Ni) intermetallic compounds. As all those compounds crystallize in the same C16 crystallographic structure, they offer a rare opportunity to investigate electronic structure effects coming from transition metals on the EFG at Zr site. Those results are compared with EFG values obtained from quadrupole coupling constant measurements performed with the time differential perturbed angular correlation (TDPAC) technique, using the ~(181)Ta probe.
机译:我们在原子球近似中使用线性松饼-锡轨道形式,研究了Zr_2T(T = Fe,Co和Ni)金属间化合物中非等价位点的原子核处的电场梯度(EFG)趋势。 。由于所有这些化合物都在相同的C16晶体结构中结晶,因此它们为研究过渡金属在Zr部位上的EFG产生的电子结构效应提供了难得的机会。使用〜(181)Ta探针,将这些结果与通过时差扰动角相关(TDPAC)技术执行的四极耦合常数测量获得的EFG值进行比较。

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