An ab initio investigation of how residual resistivity can decrease when an alloy is deformed

Lowitzer, S.; Ködderitzsch, D.; Ebert, H.; Tulip, P. R.; Marmodoro, Alberto; Staunton, J. B.

doi:10.1209/0295-5075/92/37009

Cited by 14 publications

(9 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From a decomposition of the conductivity of Ni 0.8 Mo 0.2 into contributions from different atom pairs one can clearly see that the conductivity between Ni-Ni pairs is dominant [96]. This contribution increases significantly when shortranged clustering is included, again in line with the simple picture set out above.…”

Section: à1 Ksupporting

confidence: 75%

See 1 more Smart Citation

Electronic and transport properties of disordered transition‐metal alloys

Ködderitzsch

Lowitzer

Staunton

et al. 2011

Physica Status Solidi (b)

Self Cite

View full text Add to dashboard Cite

We present a first-principles approach to describe electronic transport of disordered alloys in a material specific way. The electronic structure is represented in terms of the relativistic multiple scattering KKR-Green function. Disorder with possible inclusion of short-ranged order effects is taken into account by the coherent-potential approximation or its nonlocal formulation. A salient feature of the presented method is the possibility to combine it with a linear response Kubo framework, allowing for a detailed investigation of many transport phenomena which are of immediate relevance for applications in which electrons and/or their spin are manipulated. This is illustrated by several examples and developments, among them the description of the residual resistivity of Kstate-and ferromagnetic alloys. Inclusion of relativistic effects by using the Dirac-formalism represents the basis to deal with the anomalous Hall effect and to derive a relativistic spinprojection scheme for currents.

show abstract

Section: à1 Ksupporting

confidence: 75%

“…Recently a simple microstructural model has been suggested in which the working of an alloy is assumed to reduce the number of unlike nearest neighbors to an atom on the average [96]. This obviously influences the electronic structure and this way the resistivity as follows.…”

Section: à1 Kmentioning

confidence: 99%

Electronic and transport properties of disordered transition‐metal alloys

Ködderitzsch

Lowitzer

Staunton

et al. 2011

Physica Status Solidi (b)

Self Cite

View full text Add to dashboard Cite

show abstract

“…The three most obvious being: going beyond the single-site treatment of disorder; inclusion of any possible (but currently mostly unknown except for NiFe 47 ) short range order (SRO); consideration of additional electron correlation effects, beyond LDA. For binary alloys where the first two effects have been considered their impact on r0 has been found to be small 48,49 (with specific exceptions, e.g., in Kstate alloys 50 ). However, it is not clear whether the impacts of the first two effects in the Cantor-Wu alloys are also small.…”

Section: (B) For An Illustration In Nife Alloy)mentioning

confidence: 99%

Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys

et al. 2019

View full text Add to dashboard Cite

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 3 Å (weak scattering limit). Here, we delineate the underlying electron scattering mechanisms responsible for this disparate behavior. While site-diagonal, spin dependent, potential scattering 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. Somewhat surprisingly, other scattering mechanisms -including displacement, or size effect, scattering which has been shown to strongly correlate with such diverse properties as yield strength -are found to be relatively weak in most cases 4 component equiatomic fcc solid solutions: NiPd, NiCo, NiFe, NiFeCo, NiCoCr, NiCoMn, NiCrCoMn, NiFeCoMn and NiFeCoCr. This set of alloys combined with NiFeCoCrMn and NiFeCoCrPd (here collectively referred to as Cantor-Wu alloys), constitute a rich playground for comprehensive studies of the role of maximal disorder on the properties of multi-component alloys by controlling both the number (increasing configurational entropy) and types (chemical specificity) of alloying elements 4,5,8 . Of interest here are the results of recent residual resistivity measurements 5,8 of a subset of Cantor-Wu alloys that show, rather than increasing monotonically with increasing numbers of components, values of r0 break into two subgroups of low (r0 <10 µW•cm) and high (r0 >75 µW•cm) resistivity alloys. In addition, two entropically identical alloys, NiCoFe (r0 = 1.7µW•cm) and NiCoCr (r0 =92.7 µW•cm), fall into different resistivity groupings. Remarkably, the least and most resistive alloys differ by almost two orders of magnitude, r0(NiCo)=1.3µW•cm; r0(NiFeCoCrPd)=124.8µW•cm. Interestingly, the low resistivity group have r0 values typical of dilute weak scattering alloys in which there are clearly defined host (solvent) and impurity (solute) elements. In such alloys, r0 arises from the scattering of a low Fermi energy DOS of nearly-freeelectron sp-states with large λ e [ε F ] and r0 generally obeys both Nordheim's relation (r0∝c((1-c);where c is impurity concentration) 9 and Linde's "law" (r0 ∝ (DZ) 2 ; where DZ is the valence difference between host and impurity atoms) 10 . (see Ref. 11 for a discussion) This, despite the fact that, in equiatomic alloys, the concept of host and impurity elements is lost and the Fermi energy falls in the high density of state (DOS) d-bands 5 . At the other extreme, high-r0 NiFeCoCrPd is

show abstract

“…In some cases, the formation of Guinier-Preston zones [23] is considered as a prototype of this state. The calculation results also testify that not only the small size of domains with a certain type of short-range order that arise in some solid solutions at their annealing, but also the features of the -scattering in those regions are responsible for an increase of the electrical resistivity in specimens previously disordered by a deformation [24,25].…”

Section: Discussion Of Resultsmentioning

confidence: 66%

Influence of a Cold Plastic Deformation on the Electrical Resistivity of CrMnFeCoNi High-Entropy Alloy

2017

View full text Add to dashboard Cite

The influence of a cold rolling deformation on the electrical transport properties of CrMnFe-CoNi high-entropy alloy (HEA) has been studied. It is shown that the growth of the strain at rolling gives rise to a decrease of the alloy electrical resistivity and an increase of the temperature coefficient of resistance. The X-ray diffraction study did not reveal any phase changes at that. Such dependences of and on differ from the behavior of those parameters in the majority of ordinary metal alloys. The temperature dependence of the electrical resistance of deformed samples at their heating is found to have an abnormal S-like shape. Using the positions of such S-anomalies obtained at different heating rates, the activation energy of the process responsible for the appearance of this anomaly is determined with the help of the Kissinger method. The form of the dependence () and the value of give us ground to connect the specific features in the behavior of in deformed specimens with the existence of a "K-state" in the examined HEA, which emerges in some deformed alloys based on transition metals. Possible thermodynamic reasons for the appearance of this state have been discussed.

show abstract

An ab initio investigation of how residual resistivity can decrease when an alloy is deformed

Cited by 14 publications

References 31 publications

Electronic and transport properties of disordered transition‐metal alloys

Electronic and transport properties of disordered transition‐metal alloys

Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys

Influence of a Cold Plastic Deformation on the Electrical Resistivity of CrMnFeCoNi High-Entropy Alloy

Contact Info

Product

Resources

About