Density functional theory investigation on lattice dynamics,elastic properties and origin of vanished magnetism in Heusler compounds CoMnVZ(Z=Al,Ga)

The lattice dynamics,elastic properties and the origin of vanished magnetism in equiatomic quaternary Heusler compounds CoMnVZ(Z=Al,Ga)are investigated by first principle calculations in this work.Due to the similar constituent atoms in CoMnVAl and CoMnVGa compounds,they are both stable in LiMgPdSn-type structure with comparable lattice size,phonon dispersions and electronic structures.Comparatively,we find that CoMnVAl is more structurally stable than CoMnVGa.Meanwhile,the increased covalent bonding component in CoMnVAl enhances its mechanical strength and Vickers hardness,which leads to better comprehensive mechanical properties than those of CoMnVGa.Practically and importantly,structural and chemical compatibilities at the interface make non-magnetic semiconductor CoMnVAl and magnetic topological semimetals Co2MnAl/Ga more suitable to be grown in heterostructures.Owing to atomic preferential occupation in CoMnVAl/Ga,the localized atoms Mn occupy C(0.5,0.5,0.5)Wyckoff site rather than B(0.25,0.25,0.25)and D(0.75,0.75,0.75)Wyckoff sites in LiMgPdSn-type structure,which results in symmetric band filling and consequently drives them to be non-magnetic.Correspondingly,by tuning localized atoms Mn to occupy B(0.25,0.25,0.25)or/and D(0.75,0.75,0.75)Wyckoff sites in off-stoichiometric Co-Mn-V-Al/Ga compounds and keeping the total valence electrons as 24,newly compensated ferrimagnetic compounds are theoretically achieved.We hope that our work will provide more choices for spintronic applications.

Possible Martensitic Transformation in Heusler Alloy Pt_2MnSn from First Principles

Using density functional theory calculations, we investigate the tetragonal distortion, electronic structure and magnetic property of Pt2MnSn. The results indicate that, when the volume-conserving tetragonal distortion occurs, the energy minimum appears at c/a = 0.84, and the energy difference between the minimum and cubic phase is as high as 107 me V/f. u. Thus from the point of view of thermodynamics, martensitie transformation may occur in Pt2MnSn with decreasing the temperature. The electronic structure of its cubic and martensitic phases also approves this. Moreover, both the cubic and tetragonal phases of Pt2MnSn are ferromagnetic structures and their total magnetic moments are 4.26 μB and 4.12 μB, respectively.

Effect of external stress and bias magnetic field on transformation strain of heusler alloy Ni-Mn-Ga

The influence of external field(magnetic field and stress field) on the transformation strain of Ni 52.9- Mn 24.4Ga 22.7 single crystal were investigated and its mechanism was also discussed. When thermally martensitic transformation occurs, about 0.25% transformation strain is obtained which may be obviously enhanced to about 0.8% by a 6 000 Oe magnetic bias field. However, the strain decreases by the external compress stress loaded along the strain-measured direction. When the external compress stress and bias magnetic field are simultaneously applied, the transformation strain decreases with increasing the magnetic field, which is related to the rearrangement of the martensite variants influenced by the external field.

Successive phase transformation in ferromagnetic shape memory alloy Co_(37)Ni_(34)Al_(29) melt-spun ribbons

The martensitic transformation in Co37Ni34Al29 ribbon is characterized in detail by means of in-situ thermostatic x-ray diffraction and magnetic measurements.The results show a structural transition from the body-centred cubic to martensite with a tetragonal structure during cooling.Comparison between the results of the diffraction intensity with the magnetic susceptibility measurements indicates that the martensitic transformation takes place in several different steps during cooling from 273 to 163 K.During heating from 313 to 873 K,the peak width becomes very wide and the intensity turns very low.The γ-phase （face-centred cubic structure） emerges and increases gradually with temperature increasing from 873 to 1073 K.

Chiral Dirac Fermion in a Collinear Antiferromagnet

In a Dirac semimetal, the massless Dirac fermion has zero chirality, leading to surface states connected adiabatically to a topologically trivial surface state as well as vanishing anomalous Hall effect. Recently, it is predicted that in the nonrelativistic limit of certain collinear antiferromagnets, there exists a type of chiral“Dirac-like” fermion, whose dispersion manifests four-fold degenerate crossing points formed by spin-degenerate linear bands, with topologically protected Fermi arcs. Such an unconventional chiral fermion, protected by a hidden SU(2) symmetry in the hierarchy of an enhanced crystallographic group, namely spin space group, is not experimentally verified yet. Here, by angle-resolved photoemission spectroscopy measurements, we reveal the surface origin of the electron pocket at the Fermi surface in collinear antiferromagnet CoNb3S6. Combining with neutron diffraction and first-principles calculations, we suggest a multidomain collinear antiferromagnetic configuration, rendering the the existence of the Fermi-arc surface states induced by chiral Dirac-like fermions.Our work provides spectral evidence of the chiral Dirac-like fermion caused by particular spin symmetry in CoNb_(3)S_(6), paving an avenue for exploring new emergent phenomena in antiferromagnets with unconventional quasiparticle excitations.

Magnetocaloric effects in RT X intermetallic compounds(R = Gd–Tm, T = Fe–Cu and Pd, X = Al and Si)

The magnetocaloric effect（MCE） of RT Si and RT Al systems with R = Gd–Tm, T = Fe–Cu and Pd, which have been widely investigated in recent years, is reviewed. It is found that these RT X compounds exhibit various crystal structures and magnetic properties, which then result in different MCE. Large MCE has been observed not only in the typical ferromagnetic materials but also in the antiferromagnetic materials. The magnetic properties have been studied in detail to discuss the physical mechanism of large MCE in RT X compounds. Particularly, some RT X compounds such as Er Fe Si,Ho Cu Si, Ho Cu Al exhibit large reversible MCE under low magnetic field change, which suggests that these compounds could be promising materials for magnetic refrigeration in a low temperature range.

Effect of R substitution on magnetic properties and magnetocaloric effects of La_(1-x)R_xFe_(11.5)Si_(1.5) compounds with R=Ce,Pr and Nd

Magnetic properties and magnetocaloric effects of La1-xRxFe11.5Si1.5 （R=Pr, （0 ≤ x ≤ 0.5）; R = Ce and Nd, （0 ≤ x ≤ 0.3）） compounds are investigated. Partially replacing La with R = Ce, Pr and Nd in La1-xRxFe11.5Si1.5 leads to a reduction in Curie temperature due to the lattice contraction. The substitution of R for La causes an enhancement in field-induced itinerant electron metamagnetic transition, which leads to a remarkable increase in magnetic entropy change ASm and also in hysteresis loss. However, a high effective refrigerant capacity RCeff is still maintained in La1-xRxFe11.5Si1.5. In the present samples, a large △Sm and a high RCeff have been achieved simultaneously.

Magnetic properties and magnetocaloric effects in NaZn_(13)-type La(Fe,Al)(13)-based compounds

In this article, our recent progress concerning the effects of atomic substitution, magnetic field, and temperature on the magnetic and magnetocaloric properties of the LaFe13-xAlx compounds are reviewed. With an increase of the aluminum content, the compounds exhibit successively an antiferromagnetic （AFM） state, a ferromagnetic （FM） state, and a mictomagnetic state. Furthermore, the AFM coupling of LaFe13 -xAlx can be converted to an FM one by substituting Si for A1, Co for Fe, and magnetic rare-earth R for La, or introducing interstitial C or H atoms. However, low doping levels lead to FM clusters embedded in an AFM matrix, and the resultant compounds can undergo, under appropriate applied fields, first an AFM-FM and then an FM-AFM phase transition while heated, with significant magnetic relaxation in the vicinity of the transition temperature. The Curie temperature of LaFe13-xAlx can be shifted to room temperature by choosing appropriate contents of Co, C, or H, and a strong magnetocaloric effect can be obtained around the transition temperature. For example, for the LaFel 1.5All.5Co.2Hl.o compound, the maximal entropy change reaches 13.8 J.kg-1.K-1 for a field change of 0-5 T, occurring around room temperature. It is 42% higher than that of Gd, and therefore, this compound is a promising room-temperature magnetic refrigerant.

Magnetic properties and magnetic entropy changes of La1-xPrxFe11.5Si1.5 compounds with 0 ≤ x ≤ 0.5

Magnetic properties and magnetic entropy changes in LaFe11.5Si1.5 have been investigated by partially substituting Pr by La. It is found that La1-xPrxFe11.5Si1.5 compounds remain cubic NaZn13-type structures even when the Pr content is increased to 0.5, i.e. x = 0.5. Substitution of Pr for La leads to a reduction in both the crystal constant and the Curie temperature. A stepwise magnetic behaviour in the isothermal magnetization curves is observed, indicating that the characteristic of the itinerant electron metamagnetic （IEM） transition above Tc becomes more prominent with the Pr content increasing. As a result, the magnetic entropy change is remarkably enhanced from 23.0 to 29.4 J/kg·K as the field changes from 0 to 5T, with the value of x increasing from 0 to 0.5. It is more attractive that the magnetic entropy changes for all samples are shaped into high plateaus in a wide range of temperature, which is highly favourable for Ericsson-type magnetic refrigeration.

Break Down of Vertical-Bloch-Line Chains in the First Kind of Dumbbell Domain Walls Subjected to an in-Plane Field

Experiments were statistically carried out on the behavior of the vertical-Bloch-line(VBL)chains of the first kind of dumbbell domains(IDs)in garnet bubble films subjected to an in-plane field,Hip.It was found that for IDs the critical in-plane field,(Hip)ID,above which their VBL chains disappear,is the same as that of ordinary hard bubbles(OHBs),H'ip.However,for IDS,the critical range of Hip for VBL chain softening is larger than that of OHBs.Besides,we also found some details of the softening process,e.g.,the collapse field range of the remaining IDs shrinks rapidly towards H_(0,mas),and this very narrow range can maintain until all IDs are softened.

Magnetostriction of Pseudobinary Compounds Pr_(0.15)Tb_xDy_(0.85-x)Fe_2(x=0 to 0.85)

The compound ingots of Pr0.15TbxDy0.85-xFe2 (x=0 to 0.85) were prepared by arc melting in a water Cu boat using arc furnace under a purified Ar atmosphere. Appropriate annealing (850℃, 100 h) can obtain single Laves phase compound. The magnetostriction for these systems will rise obviously when partially substituted Tb or Dy by Pr.

Magnetic entropy change involving martensitic transition in NiMn-based Heusler alloys

Our recent progress on magnetic entropy change（S） involving martensitic transition in both conventional and metamagnetic NiMn-based Heusler alloys is reviewed.For the conventional alloys,where both martensite and austenite exhibit ferromagnetic（FM） behavior but show different magnetic anisotropies,a positive S as large as 4.1 J·kg^-1·K^-1 under a field change of 0-0.9 T was first observed at martensitic transition temperature T M～197 K.Through adjusting the Ni：Mn：Ga ratio to affect valence electron concentration e/a,T M was successfully tuned to room temperature,and a large negative S was observed in a single crystal.The △S attained 18.0 J·kg^-1·K^-1 under a field change of 0-5 T.We also focused on the metamagnetic alloys that show mechanisms different from the conventional ones.It was found that post-annealing in suitable conditions or introducing interstitial H atoms can shift the T M across a wide temperature range while retaining the strong metamagnetic behavior,and hence,retaining large magnetocaloric effect（MCE） and magnetoresistance（MR）.The melt-spun technique can disorder atoms and make the ribbons display a B2 structure,but the metamagnetic behavior,as well as the MCE,becomes weak due to the enhanced saturated magnetization of martensites.We also studied the effect of Fe/Co co-doping in Ni 45（Co1-xFex）5 Mn36.6In13.4 metamagnetic alloys.Introduction of Fe atoms can assist the conversion of the Mn-Mn coupling from antiferromagnetic to ferromagnetic,thus maintaining the strong metamagnetic behavior and large MCE and MR.Furthermore,a small thermal hysteresis but significant magnetic hysteresis was observed around TM in Ni51Mn49-xInx metamagnetic systems,which must be related to different nucleation mechanisms of structural transition under different external perturbations.

Infrared Absorption of Phase Separated La0.67-xPrxCa0.33MnO3

Infrared absorption spectra of La0.67-xPrxCa0.33MnO3 （x= 0, 0.18 and 0.36） are experimentally studied in the temperature range 20 -300K. Absorption peak splitting corresponding to the stretching oscillation of the Mn-O bond, together with a shift of peak position, is observed below the Curie temperature. These features weaken and even disappear as the samples are warmed up to the Curie temperature, which indicates that this anomaly may be a result of phase separation in the compounds.

High-mobility two-dimensional electron gases at oxide interfaces:Origin and opportunities

Our recent experimental work on metallic and insulating interfaces controlled by interfacial redox reactions in SrTiO3-based heterostructures is reviewed along with a more general background of two-dimensional electron gas （2DEG） at oxide interfaces. Due to the presence of oxygen vacancies at the SrTiO3 surface, metallic conduction can be created at room temperature in perovskite-type interfaces when the overlayer oxide ABO3 has Al, Ti, Zr, or Hf elements at the B sites. Furthermore, relying on interface-stabilized oxygen vacancies, we have created a new type of 2DEG at the heterointerface between SrTiO3 and a spinel γ-Al2O3 epitaxial film with compatible oxygen ion sublattices. This 2DEG exhibits an electron mobility exceeding 100000 cm2·V-1·s-1, more than one order of magnitude higher than those of hitherto investigated perovskite-type interfaces. Our findings pave the way for the design of high-mobility all-oxide electronic devices and open a route toward the studies of mesoscopic physics with complex oxides.

Order of magnetic transition and large magnetocaloric effect in Er_3Co

We have studied the magnetic and magnetocaloric properties of the Er3Co compound, which undergoes ferromagnetic ordering below the Curie temperature Tc = 13 K. It is found by fitting the isothermal magnetization curves that the Landau model is appropriate to describe the Er3Co compound. The giant magnetocaloric effect （MCE） without hysteresis loss around Tc is found to result from the second-order ferromagnetic-to-paramagnetic transition. The max- imal value of magnetic entropy change is 24.5 J/kg.K with a refrigerant capacity （RC） value of 476 J/kg for a field change of 0-5 T. Large reversible MEC and RC indicate the potentiality of Er3Co as a candidate magnetic refrigerant at low temperatures.

Magnetocaloric effect in Gd_6Co_(1.67)Si_3 compound with a second-order phase transition

The magnetic properties and the magnetic entropy change AS have been investigated for Gd6Co1.67Si3 compounds with a second-order phase transition. The saturation moment at 5 K and the Curie temperature TC are 38.1μB and 298 K, respectively. The AS originates from a reversible second-order magnetic transition around TC and its value reaches 5.2 J/kg.K for a magnetic field change from 0 to 5T. The refrigerant capacity （RC） of Gd6Co1.67Si3 are calculated by using the methods given in Refs.[12] and [21], respectively, for a field change of 0 5T and its values are 310 and 440 J/kg, which is larger than those of some magnetocaloric materials with a first-order phase transition.

Magnetic entropy change of Ce6Ni2Si3-type and large refrigerant capacity GdCoSiGe compound＊

Magnetic entropy change （△SM） and refrigerant capacity （RC） of Ce6Ni2Si3-type Gd6Co1.67Si2.5Geo.5 compounds have been investigated. The Gd6Col.67Si2.5Geo.5 undergoes a reversible second-order phase transition at the Curie temperature Tc = 296 K. The high saturation magnetization leads to a large ASM and the maximal value of △SM is found to be 5.9 J/kg. K around TC for a field change of 0-5 T. A broad distribution of the △SM peak is observed and the full width at half maximum of the △SM peak is about 101 K under a magnetic field of 5 T. The large RC is found around TC and its value is 424 J/kg.

Magnetocaloric Effect of Ni_(56)Mn_(18.8)Ga_(24.5)Gd_(0.7) Alloy

With the addition of Gd, the Ni56Mn18.8Ga24.5 Gd0.7 alloy exhibits non-modulated martensite phase at room temperature. From the illustration of Gd microstructure, it can be found that Gd exists along the subgrain boundaries. Hence, the crystalline size decreases and the mechanical properties improve. At-susceptibility results show that Ni56Mn18.8Ga24.5 Gd0.7 alloy still undergoes simultaneous structural and magnetic transitions and transforms from ferromagnetic martensitic phase to paramagnetic austenitic phase with increasing temperature. The maximum magnetic entropy change is 13.4 J· （kg·K） ^-1 under 1.9 T field at 338 K. The giant magnetocaloric effect found in Ni56Mn18.8Ga24.5 Gd0.7 alloy is attributed to the concurrently occurring first-order structural- and magnetic-phase transitions.

Thermal activation of magnetization in Pr_2Fe_(14)B ribbons

The aftereffect field of thermal activation, which corresponds to the fluctuation field of a domain wall, is investigated via specific measurements of the magnetization behavior in PraFel4B nanocrystalline magnets. The thermal activation is a magnetization reversal arising from thermal fluctuation over an energy barrier to an equilibrate state. According to the magnetic viscosity and the field sweep rate dependence of the coercivity, the calculated values of the fluctuation field are lower than the aftereffect field and in a range between those of domain walls and individual grains. Based on these results, we propose that the magnetization reversal occurs in multiple ways involving grain activation and domain wall activation in thermal activation, and the thermal activation decreases the coercivity by-0.2 kOe in the PrzFe14B ribbons.

Effect of thermal-annealing on the magnetoresistance of manganite-based junctions

Thermal-annealing has been widely used in modulating the oxygen content of manganites. In this work, we have studied the effect of annealing on the transport properties and magnetoresistance of junctions composed of a La0.9Ca0.1MnO3＋6 film and a Nb-doped SrTiO3 substrate. We have demonstrated that the magnetoresistance of junctions is strongly dependent on the annealing conditions： Prom the junction annealed-in-air to the junction annealedin-vacuum, the magnetoresistance near 0-V bias can vary from ～-60% to N～0. A possible mechanism accounting for this phenomenon is discussed.