First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

The influence of Co and Cu doping on Ni-Mn-Ga Heusler alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. Single-element doping and simultaneous doping by both elements are investigated in Ni50−xCoxMn25−yGa25−zCuy+z alloys, with dopant concentrations x,y, and z up to 7.5 at. %. Doping with Co in the Ni sublattice decreases the (c/a)NM ratio of the nonmodulated (NM) martensite, but it simultaneously increases the cubic phase stability with respect to the NM phase. Doping with Cu in the Mn or in Ga sublattices does not change the (c/a)NM ratio significantly and it decreases the cubic phase stability. For simultaneous doping by Co in the Ni sublattice and Cu in the Mn or Ga sublattices, the effects of the individual dopants are independent and about the same as for the single-element doping. Thus, the (c/a)NM ratio can be adjusted by Co doping while the phase stability can be balanced by Cu doping, resulting in stable martensite with a reduced (c/a)NM. The local stability of the cubic phase with respect to the tetragonal deformation can be understood on the basis of a density-of-states analysis.Peer reviewe

A two dimensional model for ferromagnetic martensites

We consider a recently introduced 2-D square-to-rectangle martensite model that explains several unusual features of martensites to study ferromagnetic martensites. The strain order parameter is coupled to the magnetic order parameter through a 4-state clock model. Studies are carried out for several combinations of the ordering of the Curie temperatures of the austenite and martensite phases and, the martensite transformation temperature. We find that the orientation of the magnetic order which generally points along the short axis of the rectangular variant, changes as one crosses the twin or the martensite-austenite interface. The model shows the possibility of a subtle interplay between the growth of strain and magnetic order parameters as the temperature is decreased. In some cases, this leads to qualitatively different magnetization curves from those predicted by earlier mean field models. Further, we find that strain morphology can be substantially altered by the magnetic order. We have also studied the dynamic hysteresis behavior. The corresponding dissipation during the forward and reverse cycles has features similar to the Barkhausen's noise.Comment: 9 pages, 11 figure

First-principles study of lattice instabilities in the ferromagnetic martensite Ni2_2MnGa

The phonon dispersion relations and elastic constants for ferromagnetic Ni$_2$MnGa in the cubic and tetragonally distorted Heusler structures are computed using density-functional and density-functional perturbation theory within the spin-polarized generalized-gradient approximation. For $0.9<c/a<1.06$, the TA$_2$ tranverse acoustic branch along $[110]$ and symmetry-related directions displays a dynamical instability at a wavevector that depends on $c/a$. Through examination of the Fermi-surface nesting and electron-phonon coupling, this is identified as a Kohn anomaly. In the parent cubic phase the computed tetragonal shear elastic constant, C$^\prime$=(C$_{11}-$C$_{12}$)/2, is close to zero, indicating a marginal elastic instability towards a uniform tetragonal distortion. We conclude that the cubic Heusler structure is unstable against a family of energy-lowering distortions produced by the coupling between a uniform tetragonal distortion and the corresponding $[110]$ modulation. The computed relation between the $c/a$ ratio and the modulation wavevector is in excellent agreement with structural data on the premartensitic ($c/a$ = 1) and martensitic ($c/a$ = 0.94) phases of Ni$_2$MnGa.Comment: submitted to Phys. Rev.

Review of properties of magnetic shape memory (MSM) alloys and MSM actuator designs

Magnetic shape memory alloys are a new group of "smart" materials that exhibit large strain of 6-12% when subjected to magnetic fields. This indicates their enormous potential to be used in different electromagnetic (EM) devices such as actuators, sensors, energy harvesters and dampers. Shape change in MSM materials is controlled by magnetic field and doesn't involve phase transformation, allowing it to overcome a number of disadvantages of conventional shape memory alloys (SMAs). MSM devices are capable of producing large force and stroke output in considerably small dimensions. At the same time they can have fast response and potentially very long lifetime. This paper discusses different modern designs and approaches to MSM actuator design with their advantages and disadvantages. An overview on characteristics of MSM alloys is also presented in order to highlight how different properties of the material influence the total output of a device

Genetics of CM-proteins (A-hordeins) in barley

The CM-proteins, which are the main components of the A-hordeins, include four previously described proteins (CMa-1, CMb-1, CMc-1, CMd-1), plus a new one, CMe-1, which has been tentatively included in this group on the basis of its solubility properties and electrophoretic mobility. The variability of the five proteins has been investigated among 38 Hordeum vulgare cultivars and 17 H. spontaneum accessions. Proteins CMa-1, CMc-1 and CMd-1 were invariant within the cultivated species; CMd was also invariant in the wild one. The inheritance of variants CMb-1/CMb-2 and CMe-1/CMe-2,2 was studied in a cross H. spontaneum x H. vulgare. The first two proteins were inherited as codominantly expressed allelic variations of a single mendelian gene. Components CMe-2,2 were jointly inherited and codominantly expressed with respect to CMe-1. Gene CMb and gene(s) CMe were found to be unlinked. The chromosomal locations of genes encoding CM-proteins were investigated using wheat-barley addition lines. Genes CMa and CMc were associated with chromosome 1, and genes CMb and CMd with chromosome 4. These gene locations further support the proposed homoeology of chromosomes 1 and 4 of barley with chromosomes groups 7 and 4 of wheat, respectively. Gene(s) CMe has been assigned to chromosome 3 of barley. The accumulation of protein CMe-1 is totally blocked in the high lysine mutant Riso 1508 and partially so in the high lysine barley Hiproly

Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys

The influence of Co and Cu doping on Ni-Mn-Ga alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. The energy difference between the austenite (A) and the nonmodulated (NM) martensite δE A-NM depends linearly on the Cu concentration and distribution, with a minimum for all Cu at Mn sites and a maximum for all Cu at Ga sites. For alloys simultaneously doped by Co in Ni sublattice and Cu in Mn or Ga sublattice, the effects of the individual dopants on δE A-NM and (c/a)NM and are almost independent. The alloy with composition Ni46Co4Mn24Ga22Cu4 exhibits decreased equilibrium (c/a)NM and increased δE A-NM in comparison with Ni50Mn25Ga25, which is in agreement with the previous experimental results.Peer reviewe

Branching of {110) twin boundaries in five-layered Ni-Mn-Ga bent single crystals

Two bending tests around two perpendicular axes were applied to 10M Ni-Mn-Ga single crystals with fivelayeredmodulated structure. The crystal structure and microstructure evolution were examined using synchrotronradiation and electron backscatter diffraction, respectively. The bend stress results in pseudoelasto-plasticstrain due to {101) twins tapering. A close examination of the microstructure reveals an additional pattern indicatingmicrostructural changes in the form of {110) twins. As bending proceeds the {110) twins branch undergoinga significant twin refinement. Additionally, an elastic change of lattice parameters is confirmed yielding ahigher total pseudoelastic strain. Unloading restores the initial twin configuration removing a large amount ofthe {110) twin boundaries, however, this process is followed by incomplete recovery since the samples do notretain its original shape entirely. The paper underlines the differences inmechanismfor bending around two perpendicularaxes explaining the amount of strain observed under pseudoelastic deformation. Additionally, the resultsare discussed with respect to minimization of elastic energy due to twin refinement and branching aswell asmobility of the {101) and {110) twin boundaries