Charge transfer effect on local lattice distortion in a HfNbTiZr high entropy alloy

How Atomic Bonding Plays the Hardness Behavior in the Al–Co–Cr–Cu–Fe–Ni High Entropy Family

“… represents then a fully experimental value which intrinsically considers charge transfer effects or chemical SRO accounted, e.g., in ref. [53] in a HfNbTiZr HEA. HV values have been plotted as a function of the obtained values in Figure .…”

High-Entropy Transition Metal Nitride Thin Films Alloyed with Al: Microstructure, Phase Composition and Mechanical Properties

“…The recent studies show that the atomic radii of the metal atoms in the multicomponent surroundings of HEAs deviate from its average size assumed by hard sphere model due to local chemical interactions, i.e. charge transfer effects [28].…”

“…3d). The 111-oriented epitaxial growth of TMNs on Al 2 O 3 (0001) is a typically well-known phenomenon due to a relatively low mismatch between their lattices when [21][22][23][24][25][26][27][28][29][30] direction of Al 2 O 3 (0001) coincides with [1 0 1] direction of TMNs (1 1 1) [29]. At the same time, the epitaxial growth of HENs is rarely reported and remains poorly studied [30].…”

“…However, all TM core-level peaks are shifted towards lower BE in Al-free HENs film compared to binary nitrides (Supplementary Table 6). This can be explained by the fact that local atomic environment in the solid solution of HENs differs from the configuration used for DFT calculations whereas the charge density on TM atom in multicomponent systems is additionally determined by their first and second nearest-neighbours [28]. Moreover, as changes in the BE with lattice strain are dominated by initial state affects [35], reducing interatomic bonding (evident as the decrement of the stress-free lattice parameter) leads to the larger charge density on N atoms that can also contribute to the lower BE of N electrons in Al-rich HEN thin films in addition to the increment of valence charge on the N atoms due to ionic bonding character.…”

A review of noble metal-free high entropy alloys for water splitting applications

“…46 This results in severe distortion of the lattice due to size mismatches 69 and results in surface strain which contributes to congurational entropy. 70 Consequently, this affords HEAs with excellent mechanical properties such as high yield strength and ductility, [71][72][73] as well as good catalytic properties, [74][75][76] although the effect on mechanical properties is more widely reported. Li et al 77 found that the selective laser melting of CoCrFeMnNi HEA displayed large numbers of dislocations and severe lattice distortion.…”