论文标题
组成复杂合金中的化学相互作用和电子结构:通过X射线吸收和X射线光电子光谱法进行案例研究
Chemical Interaction and Electronic Structure in a Compositionally Complex Alloy: a Case Study by means of X-ray Absorption and X-ray Photoelectron Spectroscopy
论文作者
论文摘要
化学相互作用以及Cr,Fe,Fe,Co,Ni和Cu过渡金属(TMS)的局部电子结构发生变化,形成了$ Al_ {8} CO_ {17} CR_ {17} Cr_ {17} Cu_ {8} Fe_ {17} Fe_ {17} Ni_ {33} ni {33} $组成的Alloy(CCA)已被X-Ray progection to ni and x-ray prockerroned prockerron procect光谱法。发现在CCA形成后,CR,CO和NI 3D状态的占用率分别从费米水平($ e_f $)偏离0.5和0.6 eV,而CR 3D空状态最大转移到$ E_F $ 0.3 ev,相比之下,分别从费米级别($ e_f $)偏离了0.5和0.6 eV。建立了元素之间没有明显的电荷转移,这表明3D状态的占用变化是通过涉及到分离的4s和4p状态参与指控重新分布的。尽管预期形成了强al-TMS共价键,但在TMS 3D电子状态转化中的Al作用可以忽略不计。这项工作证明了CR在Ni局部电子结构转化中的决定性作用,并提出了具有共价特征的定向NI-CR键。这些发现可能有助于调整CCA的变形属性和相位稳定性。
Chemical interaction and changes in local electronic structure of Cr, Fe, Co, Ni and Cu transition metals (TMs) upon formation of an $Al_{8}Co_{17}Cr_{17}Cu_{8}Fe_{17}Ni_{33}$ compositionally complex alloy (CCA) have been studied by X-ray absorption spectroscopy and X-ray photoelectron spectroscopy. It was found that upon CCA formation, occupancy of the Cr, Co and Ni 3d states changes and the maximum of the occupied and empty Ni 3d states density shifts away from Fermi level ($E_f$) by 0.5 and 0.6 eV, respectively, whereas the Cr 3d empty states maximum shifts towards $E_f$ by 0.3 eV, compared to the corresponding pure metals. The absence of significant charge transfer between the elements was established, pointing to the balancing of the 3d states occupancy change by involvement of delocalized 4s and 4p states into the charge redistribution. Despite the expected formation of strong Al-TMs covalent bonds, the Al role in the transformation of the TMs 3d electronic states is negligible. The work demonstrates a decisive role of Cr in the Ni local electronic structure transformation and suggests formation of directional Ni-Cr bonds with covalent character. These findings can be helpful for tuning deformation properties and phase stability of the CCA.