Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
arXiv:1806.03785 · doi:10.1038/s41524-018-0138-z
Abstract
Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d-transition metal alloys reveal two orders of magnitude variations in the residual resistivity. Using ab-initio methods, we demonstrate that, while the carrier density of all alloys is as high as in normal metals, the electron mean-free-path can vary from ~10 Å (strong scattering limit) to ~10 Å (weak scattering limit). Here, we delineate the underlying electron scattering mechanisms responsible for this disparate behavior. While spin dependent site-diagonal disorder is always dominant, for alloys containing only Fe, Co, and Ni the majority spin channel experiences negligible disorder scattering, thereby providing a short circuit, while for Cr/Mn containing alloys both spin channels experience strong disorder scattering due to an electron filling effect. Unexpectedly, other scattering mechanisms (e.g. displacement scattering) are found to be relatively weak in most cases.
References in corpus (9)
- Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures
- The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics
- Saturation of electrical resistivity
- Theory of universal incoherent metallic transport
- Universality of the Mott-Ioffe-Regel limit in metals
- Calculating linear response functions for finite temperatures on the basis of the alloy analogy model
- Multiple scattering formalism for correlated systems: A KKR+DMFT approach
- First-principles analysis of spin-disorder resistivity of Fe and Ni
- Electronic transport in ferromagnetic alloys and the Slater-Pauling Curve
Cited by in corpus (43)
- High-throughput calculations of magnetic topological materials
- Polymer Informatics: Current Status and Critical Next Steps
- Experimental Observation of High Intrinsic Thermal Conductivity of AlN
- Quantum Electrodynamic Control of Matter: Cavity-Enhanced Ferroelectric Phase Transition
- A graph representation of molecular ensembles for polymer property prediction
- Ab-initio quantum chemistry with neural-network wavefunctions
- Fantastic flat bands and where to find them: The CoSn-type compounds
- Machine Learning Coarse-Grained Potentials of Protein Thermodynamics
- Antisite defect qubits in monolayer transition metal dichalcogenides
- Higher-Order Topological Superconductivity of Spin-Polarized Fermions
- Quantifying the performance of machine learning models in materials discovery
- Using deep learning to understand and mitigate the qubit noise environment
- Vibronic response of a spin-1/2 state from a carbon impurity in two-dimensional WS
- Extreme Fermi surface smearing in a maximally disordered concentrated solid solution
- Exploring Supervised Machine Learning for Multi-Phase Identification and Quantification from Powder X-Ray Diffraction Spectra
- Lattice relaxation, mirror symmetry and magnetic field effects on ultraflat bands in twisted trilayer graphene
- Potential high- superconductivity in YCeH and LaCeH under pressure
- Electron-induced non-monotonic pressure dependence of the lattice thermal conductivity of θ-TaN
- Bulk and element specific magnetism of the medium and high entropy Cantor-Wu alloys
- Ab initio Ultrafast Spin Dynamics in Solids
- Symmetry-enforced topological band crossings in orthorhombic crystals: Classification and materials discovery
- Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure
- Impact of chemical short-range order on radiation damage in Fe-Ni-Cr alloys
- An investigation of high entropy alloy conductivity using first-principles calculations
- Magnetic properties of equiatomic CrMnFeCoNi
- Superconductivity in CeBeH and CeBH at moderate pressures
- Exchange coupling constants at finite temperature
- Modeling Temperature, Frequency, and Strain Effects on the Linear Electro-Optic Coefficients of Ferroelectric Oxides
- Phase Transitions and Superconductivity in Ternary Hydride LiSiH at High Pressures
- Transition from high-entropy to conventional metallic glasses
- Electron transport in high-entropy alloys: AlCrFeCoNi as a case study
- Higher-order topology and corner triplon excitations in two-dimensional quantum spin-dimer models
- Compressing and forecasting atomic material simulations with descriptors
- Lattice distortion tuning resistivity invar effect in high entropy alloys
- Electronic structure-property relationship in an Al0.5TiZrPdCuNi high-entropy alloy
- Wide Range Thin-FIlm Ceramic Metal-Alloy Thermometers with Low Magnetoresistance
- Predicting neutron experiments from first principles: A workflow powered by machine learning
- Second-harmonic voltage responce for the magnetic Weyl semimetal CoSnS
- Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling
- Directional emission of nanoscale chiral sources modified by gap plasmons
- Assessment of machine learning methods for state-to-state approaches
- Trigonal Quasicrystalline States in Rotated Double Moiré Superlattices
- The Interplay between Memory and Potentials of Mean Force: A Discussion on the Structure of Equations of Motion for Coarse Grained Observables