Inelastic neutron scattering and migration energies in FePd

The Role of Order, Nanocrystal Size, and Capping Ligands in the Collective Mechanical Response of Three-Dimensional Nanocrystal Solids

“…41 E CdSe is ∼13-84 GPa, depending on crystallographic orientation (E bulk ∼66 GPa), 42 and E CoPt3 is ∼100-300 GPa. 43 Our observations are also in a good agreement with theoretical simulations performed on 3D SCs consisting of 1.7 nm Au NCs stabilized with dodecanethiol. 30 The simulation results predicted a modulus of ∼1 GPa at room temperature.…”

“…The E for pure macroscopic PbS is ∼25−130 GPa depending on crystallographic orientation (bulk modulus, E bulk , a modulus obtained from isotropic compression as opposed to uniaxial test, is ∼62.2 GPa), and Vickers hardness ( H v , hardness obtained from macroscopic indentation measurement) is ∼0.59−0.88 GPa and E CoPt3 is ∼100−300 GPa . Our observations are also in a good agreement with theoretical simulations performed on 3D SCs consisting of 1.7 nm Au NCs stabilized with dodecanethiol .…”

Ferromagnetic CoPt3 Nanowires: Structural Evolution from fcc to Ordered L12

“…In this investigation, the magnetic nanomaterial CoPt 3 is used as a model system to understand the alloying process that is critical in systems that exhibit such magnetic properties as high magnetic anisotropy and magneto-optic Kerr effects . Comprehensive structural characterizations of bimetallic nanomaterials and their phase transformation processes are crucial.…”

Strain-Induced Microstructural and Ordering Behaviors of Epitaxial Fe38.5Pd61.5 Films Grown by Pulsed Laser Deposition

“…The enthalpy of ordering (∆H f : disorder → order), however, is much greater for L1 0 than L1 2 , as the enthalpy of formation for FCC drops from 0.004 Ry/atom to -0.001 Ry/atom between the Fe 50 Pd 50 and Fe 25 Pd 75 compositions [41]. Several studies concerning phonon dispersion curves, lattice constant modeling as a function of temperature, and calculated migration enthalpies are also available for stoichiometric FePd and FePd 3 [42][43][44][45][46][47]. Of particular interest are two papers that present computational phase diagrams for the Fe-Pd system modeled from select experimental thermodynamic data, which may yield further insights into the alloy's behavior [19,48].…”

“…Extensive modeling of the technologically relevant FePd phase has been performed from first principles by two academic groups using cluster variation methods. Mehaddene et al [42,43,[49][50][51] focused their work primarily on pair potentials and migration energies within the system. Mohri et al [41,[52][53][54][55], in contrast, closely address the ordering dynamics of the system and analyze the contribution made by the tetragonal distortion, presenting a modeled diagram of the L1 0 ordering transition.…”