Redka David, Khan Saleem Ayaz, Martino Edoardo, Mettan Xavier, Ciric Luka, Tolj Davor, Ivšić Trpimir, Held Andreas, Caputo Marco, Guedes Eduardo Bonini, Strocov Vladimir N, Di Marco Igor, Ebert Hubert, Huber Heinz P, Dil J Hugo, Forró László, Minár Ján
New Technologies Research Center, University of West Bohemia, Plzen, Czech Republic.
Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences HM, Munich, Germany.
Nat Commun. 2024 Sep 12;15(1):7983. doi: 10.1038/s41467-024-52349-8.
Owing to their exceptional mechanical, electronic, and phononic transport properties, compositionally complex alloys, including high-entropy alloys, represent an important class of materials. However, the interplay between chemical disorder and electronic correlations, and its influence on electronic structure-derived properties, remains largely unexplored. This is addressed for the archetypal CrMnFeCoNi alloy using resonant and valence band photoemission spectroscopy, electrical resistivity, and optical conductivity measurements, complemented by linear response calculations based on density functional theory. Utilizing dynamical mean-field theory, correlation signatures and damping in the spectra are identified, highlighting the significance of many-body effects, particularly in states distant from the Fermi edge. Electronic transport remains dominated by disorder and potentially short-range order, especially at low temperatures, while visible-spectrum optical conductivity and high-temperature transport are influenced by short quasiparticle lifetimes. These findings improve our understanding of element-specific electronic correlations in compositionally complex alloys and facilitate the development of advanced materials with tailored electronic properties.
由于其优异的机械、电子和声子输运特性,包括高熵合金在内的成分复杂合金是一类重要的材料。然而,化学无序与电子关联之间的相互作用及其对源自电子结构的性质的影响,在很大程度上仍未得到探索。本文使用共振和价带光电子能谱、电阻率和光导率测量,并辅以基于密度泛函理论的线性响应计算,对典型的CrMnFeCoNi合金进行了研究。利用动态平均场理论,识别了光谱中的关联特征和阻尼,突出了多体效应的重要性,特别是在远离费米边缘的状态中。电子输运仍然主要受无序和潜在的短程有序支配,尤其是在低温下,而可见光谱光导率和高温输运则受短准粒子寿命的影响。这些发现增进了我们对成分复杂合金中元素特异性电子关联的理解,并有助于开发具有定制电子特性的先进材料。