The authors report on the discovery of a magnetically soft high‐entropy alloy of composition FeCoNiPdCu, which performs comparably to the best commercial soft magnets for static and low‐frequency applications. Properly heat‐treated FeCoNiPdCu develops nanostructure that can be viewed as a two‐phase bulk nanocomposite of randomly intermixed FeCoNi magnetic domains and PdCu nonmagnetic “spacers”, both of 2–5 nm cross dimensions. Due to the nanometric size, the FeCoNi domains are magnetically single‐domain particles, and since the particles are exchange‐coupled across the boundaries, exchange averaging of magnetic anisotropy takes place, resulting in an almost vanishing coercive field and excellent magnetic softness. The formation of a two‐phase nanostructure favorable for the exchange averaging of magnetic anisotropy is a consequence of specific values of the binary mixing enthalpies for the chosen elements. Though high‐entropy alloys are generally considered to be random solid solutions of multiple elements on a topologically ordered crystal lattice, clustering of the atoms into preferential chemical environments on a nanoscale essentially determines their magnetic properties. Experimentally, the magnetic properties of the FeCoNiPdCu high‐entropy alloy are compared to the commercial, magnetically soft non‐oriented silicon electrical steel.
We investigated molecular dynamics in two ammonium borane systems from the group of promising ion conductors. The investigation was performed by means of 1 H and 11 B NMR spectroscopy and spin−lattice relaxation techniques. We identified two reorientational processes, the rotations of NH 4 units that are present already at low temperatures and rotations of large boron cages, B 10 H 10 or B 12 H 12 , which are thermally activated and become prominent above 250 K. Activation energies for these processes were determined. In addition, solid-state ion conductivity measurements were conducted to determine poor NH 4 + conductivity of both systems.
The new phase Be 3 Ru crystallizes with TiCu 3 -type structure (space group Pmmn (59), a = 3.7062(1) Å, b = 4.5353(1) Å, c = 4.4170(1) Å), a coloring variant of the hexagonal closest packing (hcp) of spheres. The electronic structure revealed that Be 3 Ru has a pseudo-gap close to the Fermi level. A strong charge transfer from Be to Ru was observed from the analysis of electron density within the Quantum Theory of Atoms in Molecules (QTAIM) framework and polar three-and four-atomic BeÀ Ru bonds were observed from the ELIÀ D (electron localizability indicator) analysis. This situation is very similar to the recently investigated Be 5 Pt and Be 21 Pt 5 compounds. The unusual crystal chemical feature of Be 3 Ru is that different charged species belong to the same closest packing, contrary to typical inorganic compounds, where the cationic components are located in the voids of the closest packing formed by anions. Be 3 Ru is a diamagnet displaying metallic electrical resistivity.
High-entropy alloys (HEAs) are characterized by a simultaneous presence of a crystal lattice and an amorphous-type chemical (substitutional) disorder. In order to unravel the effect of crystal-glass duality on the electronic transport properties of HEAs, we performed a comparative study of the electronic transport coefficients of a 6-component alloy Al0.5TiZrPdCuNi that can be prepared either as a HEA or as a metallic glass (MG) at the same chemical composition. The HEA and the MG states of the Al0.5TiZrPdCuNi alloy both show large, negative-temperature-coefficient resistivity, positive thermopower, positive Hall coefficient and small thermal conductivity. The transport coefficients were reproduced analytically by the spectral conductivity model, using the Kubo-Greenwood formalism. For both modifications of the material (HEA and MG), contribution of phonons to the transport coefficients was found small, so that their temperature dependence originates predominantly from the temperature dependence of the Fermi–Dirac function and the variation of the spectral conductivity and the related electronic density of states with energy within the Fermi-level region. The very similar electronic transport coefficients of the HEA and the MG states point towards essential role of the immense chemical disorder.
The structural features of the hexagonal layered crystal structure of Be 2 Ru (a = 5.7508(3) Å, c = 3.0044(2) Å, space group P � 62m) were investigated by single crystal X-ray diffraction and transmission electron microscopy (TEM). The residual electron density and high-resolution TEM images show that the real structure can be described as an intergrowth of the main hexagonal matrix of the Fe 2 P type with minor orthorhombic inclusions of its stacking variants. Such atomic arrangement is stabilized by the charge transfer from Be to Ru and by a system of polar three-and four-atomic bonds involving both components. The calculated electronic density of states (DOS) of Be 2 Ru revealed, contrarily to typical intermetallic compounds, a pseudo gap (dip) in the vicinity of the Fermi level. The temperature dependence of the electrical resistivity of Be 2 Ru shows metal behaviour in agreement with the non-zero DOS at the Fermi level.
The CoCrFeMnNi high-entropy alloy (HEA) is a magnetically concentrated crystalline system with all lattice sites magnetic, containing randomness (five different types of spins are randomly positioned on the lattice) and frustration (a consequence of mixed ferromagnetic and antiferromagnetic interactions). The sample material was prepared as a non-equiatomic, fully random solid solution of the five magnetic elements and we have studied experimentally the nature of the magnetic state. Upon cooling, no long-range magnetic ordering takes place, but the spin system undergoes a kinetic freezing transition to a spin glass phase, where below the spin freezing temperature T f ≈ 20 K, ergodicity of the system is broken. The observed broken-ergodicity phenomena include zero-field-cooledfield-cooled magnetization splitting in low magnetic fields, a frequency-dependent cusp in the ac susceptibility, an ultraslow time-decay of the thermoremanent magnetization and the memory effect, where the state of the spin system reached upon isothermal aging at a certain temperature can be retrieved after a reverse temperature cycle. All these phenomena are associated with the out-of-equilibrium dynamics of a nonergodic, frustrated system of coupled spins that approach thermal equilibrium, but can never reach it on a finite experimental time scale, so that we are observing only transient effects of partial equilibration within localized spin domains.
Na 2 Ga 7 crystallizes with the orthorhombic space group Pnma (no. 62; a = 14.8580(6) Å, b = 8.6766(6) Å, and c = 11.6105(5) Å; Z = 8) and constitutes a filled variant of the Li 2 B 12 Si 2 structure type. The crystal structure consists of a network of icosahedral Ga 12 units with 12 exohedral bonds and four-bonded Ga atoms in which the Na atoms occupy the channels and cavities. The atomic arrangement is consistent with the Zintl [(4b)Ga] − and Wade [(12b)Ga 12 ] 2− electron counting approach. The compound forms peritectically from Na 7 Ga 13 and the melt at 501 °C and does not show a homogeneity range. The band structure calculations predict semiconducting behavior consistent with the electron balance [Na + ] 4 [(Ga 12 ) 2− ][Ga − ] 2 . Magnetic susceptibility measurements show that Na 2 Ga 7 is diamagnetic.
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