Seven equimolar, five-component, metal diborides were fabricated via high-energy ball milling and spark plasma sintering. Six of them, including (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, (Hf0.2Zr0.2Ta0.2Mo0.2Ti0.2)B2, (Hf0.2Zr0.2Mo0.2Nb0.2Ti0.2)B2, (Hf0.2Mo0.2Ta0.2Nb0.2Ti0.2)B2, (Mo0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, and (Hf0.2Zr0.2Ta0.2Cr0.2Ti0.2)B2, possess virtually one solid-solution boride phase of the hexagonal AlB2 structure. Revised Hume-Rothery size-difference factors are used to rationalize the formation of high-entropy solid solutions in these metal diborides. Greater than 92% of the theoretical densities have been generally achieved with largely uniform compositions from nanoscale to microscale. Aberration-corrected scanning transmission electron microscopy (AC STEM), with high-angle annular dark-field and annular bright-field (HAADF and ABF) imaging and nanoscale compositional mapping, has been conducted to confirm the formation of 2-D high-entropy metal layers, separated by rigid 2-D boron nets, without any detectable layered segregation along the c-axis. These materials represent a new type of ultra-high temperature ceramics (UHTCs) as well as a new class of high-entropy materials, which not only exemplify the first high-entropy non-oxide ceramics (borides) fabricated but also possess a unique non-cubic (hexagonal) and layered (quasi-2D) high-entropy crystal structure that markedly differs from all those reported in prior studies. Initial property assessments show that both the hardness and the oxidation resistance of these high-entropy metal diborides are generally higher/better than the average performances of five individual metal diborides made by identical fabrication processing.
High-entropy intermetallic compounds (HEICs) were fabricated by mechanical alloying and spark plasma sintering to fill a knowledge gap between the traditional high-entropy alloys (HEAs) and emerging high-entropy ceramics (HECs). Notably, several four-or fivecomponent equimolar aluminides, such as the B2-phase (Fe1/5Co1/5Ni1/5Mn1/5Cu1/5)Al, have been made into single-phase HEICs for the first time. Thermodynamic modeling and a reversible, temperature-dependent, phase-stability experiment suggest that such B2-phase HEICs are entropy-stabilized phases. The structure of these HEICs resembles that of HECs with highentropy mixing of four or five elements of nearly equal fractions in one and only one sublattice, but with significant (~10%) anti-site defects (differing from typical HECs). A new phase stability rule for forming single B2-phase HEICs is proposed. Five additional HEICs of predominantly D022 phases have also been made. This study broadens the families of equimolar, single-phase, high-entropy materials that have been successfully fabricated.
Interfacial perpendicular magnetic anisotropy in the MgO/Co2FeAl heterostructure is desired for technological applications, while its origin of the large interfacial anisotropy constant (Ki) remains controversial. Here we show that, by modeling four types of interface models for MgO/Co2FeAl system using first-principles calculations, the MgO/Co2 interface is energetically more favorable than MgO/FeAl interface, and the interfacial Co atoms at the former interface produce out-of-plane Ki while the interfacial Fe atoms at the later interface produce in-plane Ki. The origin of this different behavior can be explained from the atomic-resolved and orbital-resolved Ki along with the perturbation theory energy analysis. In addition, we also studied the influence of 26 capping layers on the interfacial magnetic anisotropy of MgO/Co2FeAl and found that Fe-and W-capping can significantly enhance the Ki in the MgO/Co2FeAl with a particularly large Ki of 4.90 mJ/m 2 in the W-capped model. This work clarifies the atomistic origin of the interfacial perpendicular magnetic anisotropy and provides guidance to further enhance interfacial Ki by adding capping layers in the MgO/Co2FeAl.
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