Pressure induced non-collinear magnetic structures in Fe-rich intermetallics

The results of a complementary study of magnetic properties, magnetovolume effects and neutron diffraction studies under pressure in R₂Fe₁₇ compounds with non-magnetic R (R - Y, Ce, Lu) are presented. The collinear ferromagnetic phase existing at low temperature in all three compounds is suppressed at high pressures. The critical pressure P _C depends on the compound studied (P _C ? 2.5 kbar for Ce₂Fe₁₇, P _C ? 3.5 kbar for Lu₂Fe₁₇, P _C ? 12 kbar for Y₂Fe₁₇). Incommensurate non-collinear magnetic structures that replace the ferromagnetic ones under high pressures have similar features - magnetic moments in each layer of atoms (perpendicular to z-axis) are parallel each other, their direction helically changes from layer to layer. A generalised phase diagram of the studied R₂Fe₁₇ compounds was determined with use of the recent compressibility data.     

Spontaneous magnetostriction of Y2Fe16Al compound

The structure and magnetic properties of Y₂Fe₁₆Al compound have been investigated by means of x-ray diffraction and magnetization measurements. The Y₂Fe Fe₁₆Al compound has a hexagonal Th$_{2}$Ni$_{17}$-type structure. Negative thermal expansion was found in Y₂Fe₁₆Al compound in the temperature range from 332 to 438K by x-ray dilatometry. The coefficient of the average thermal expansion is \alpha =-3.4\times 10^-5K^-1. The spontaneous magnetostrictive deformations from 293 to 427K have been calculated based on the differences between the experimental values of the lattice parameters and the corresponding values extrapolated from the paramagnetic range. The result shows that the spontaneous volume magnetostrictive deformation \textit{$\omega $}$_{\rm S}$ decreases from 5.4$\times $10^-3to near zero with temperature increasing from 293 to 427K, the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm c}$ along the $c$ axis is much larger than the spontaneous linear magnetostrictive deformation \textit{$\lambda $}$_{\rm a}$ in basal-plane in the same temperature range except near 427K.     

Electronic structure and thermodynamic properties of LiBC under high pressure

This paper investigates the electronic structure and thermodynamic properties of LiBC in the hexagonal structure by using the generalized gradient approximation （GGA） and local density approximation correction scheme in the frame of density functional theory. The geometric structure of LiBC under zero pressure, and the dependences of the normalized lattice parameters a/ao and c/co, the ratio e/a, the normalized primitive volume V/Vo on pressure are given. The thermodynamic quantity （including the heat capacity Cv, Debye temperature 6~D, thermal expansion a and Grfineisen parameter -y） dependences on temperature and pressure are obtained through the GGA method and the quasi-harmonic Debye model. The band structures and density of state of LiBC under different pressures have also been analysed.     

Anomalous thermal expansion and spontaneous magnetostriction of Gd2Fe16Cr compound

The structural and the magnetic properties of Gd 2 Fe 16 Cr compound are investigated by x-ray diffraction and magnetization measurements.The Gd 2 Fe 16 Cr compound has a rhombohedral Th 2 Zn 17-type structure.There exist an anisotropic strong spontaneous magnetostriction and a negative thermal expansion in the magnetic state of Gd 2 Fe 16 Cr compound.The average thermal expansion coefficient ā=-7.03 × 10-6 /K in a temperature range of 294-454 K and ā=-1.31 × 10-5 /K in 454-572 K are obtained.The spontaneous magnetostrictive deformation and the Curie temperature are discussed.     

Dy2 AlFe13 Mn3 化合物的本征磁致伸缩

通过X-射线衍射及磁测量手段研究了Dy2AlFe13Mn3化合物的结构及磁性质。研究结果表明Dy2AlFe13Mn3化合物具有六角相的Th2Ni17型结构。通过X-射线热膨胀测定法发现Dy2AlFe13Mn3化合物在245到344K的温度范围内存在负热膨胀现象，其平均热膨胀系数为α＝-1.1×10-4K-1K-1。在105到360K的温度范围内，通过比较磁性状态下的晶胞参数和由高温顺磁状态外延得到的低温顺磁状态下的晶胞参数间的差别计算了Dy2AlFe13Mn3化合物的本征磁致伸缩。结果表明Dy2AlFe13Mn3化合物的本征体磁致伸缩ωS在105到245K的温度范围内随着温度的升高而增大，由105K时的7.0×10-3 增加到245K时的9.1×10-3。随着温度的进一步升高，ωS反而减小。沿c轴方向的本征线磁致伸缩λc随着温度的升高而减小。基面内的本征线磁致伸缩λa在105到270K的温度范围内随着温度的升高而增大，从105K时的0.8×10-3增大到270K时的3.4×10-3，然后随着温度的进一步升高而减小。     

Molar volume, thermal expansivity and isothermal compressibility of trans-decahydronaphthalene up to 200MPa and 446K

The molar volume isotherms of trans-decahydronaphthalene （C10H18） between 293 and 446 K and at pressures from 10 to 200 MPa have been determined. A modified Tait equation of state is used to fit each experimental molar volume isotherm with a maximum average deviation of 0.029%. The thermal expansivity （cubic expansion coefficient） α and isothermal compressibility κ were determined by fitting the slopes of the isobaric curves and isotherms, respectively. The coefficients in the equation Vm=C1＋C2T＋C3T^2-C4p-C5pT have been fitted with an average deviation of 1.03%.     

T-P diagram of cerium: The lattice instability lines of gamma and alpha phases

Abstract

The compressibility and thermal expansion coeffocients of γ Ce and α Ce were measured in the 290-480 K temperature range at truly hydrostatic pressures up to 20 kbar. The lines of absolute lattice instability for γ- and α-phases were determined.     

High-pressure effect on elastic constants, stacking fault energy and correlation with dislocation properties in MgO and CaO

The elastic properties and the generalized-stacking-fault-energy (GSFE) in MeO (Me = Mg, Ca) under different pressures have been calculated using the first principle calculations. In the anisotropic elasticity theory approximation, by using the Foreman’s method, the core structure and Peierls stress of $\tfrac{1} {2}\left\langle {110} \right\rangle \left\{ {110} \right\}We report structural, DC magnetization, detailed linear/non-linear AC susceptibility, (with applied frequency and amplitude) isothermal and thermoremanent magnetization (TRM) behavior for RuSr₂Y_1.5Ce_0.5Cu₂O₁₀ (YRu-1222) magneto-superconductor to understand its complex magnetism. Studied sample is synthesized through the novel solid state high pressure (6?GPa) high temperature (1450?°C) (HPHT) technique. The compound is crystallized in tetragonal structure with space group I4/mmm (No.?139). DC magnetic susceptibility shows that studied YRu-1222 is magneto-superconducting with Ru spins magnetic ordering at around 110?K and superconductivity (SC) in the Cu-O₂ planes below ?~?30?K. Frequency and field dependent detailed AC magnetic susceptibility measurements confirms the spin-glass (SG) behavior with homogeneous/non-homogeneous ferromagnetic (FM) clusters in this system. Variation of cusp position with applied AC frequency follows the famous Vogel-Fulcher law, which is commonly accepted feature for spin-glass (SG) system with homogeneous/non-homogeneous ferromagnetic clusters embedded in spin-glass (SG) matrix. Above the freezing temperature (T _f ), first and third harmonics AC susceptibility analysis indicated possibility of the co-existence of spin cluster ferromagnetism with superparamagnetism (SPM). The M-H loops at low temperature exhibit the ferromagnetic behavior with rather small coercive field (H _c ) and remnant magnetization (M _r ). Summarily, the magnetic (DC and AC) susceptibility measurements and their analysis have enabled us to unearth the complex magnetism in terms of successive SG-FM-SPM transitions with temperature.     

Nuclear orientation and NMR/ON of205,207Po

^205,207Po have keen implanted with an isotope separator on-line into cold host matrices of Fe, Ni, Zn and Be. Nuclear magnetic resonance of oriented²⁰⁷Po has been observed in Fe and Ni, of²⁰⁵Po in Fe. The resonance frequencies for zero external field are $$\begin{gathered} v_L (^{207} Po\underline {Fe} ) = 575.08(20)MHz \hfill \\ v_L (^{207} Po\underline {Ni} ) = 160.1(8)MHz \hfill \\ v_L (^{205} Po\underline {Fe} ) = 551.7(8)MHz. \hfill \\ \end{gathered} $$ From the dependence of the resonance frequency on external magnetic field theg-factor of²⁰⁷Po was derived as $$g(^{207} Po) = + 0.31(22).$$ Using this value the magnetic hyperfine fields of Po in Fe and Ni were obtained as $$\begin{gathered} B_{hf} (Po\underline {Fe} ) = + 238(16)T \hfill \\ B_{hf} (Po\underline {Ni} ) = 66.3(4.6)T. \hfill \\ \end{gathered}$$ Theg-factor of²⁰⁵Po follows as $$g(^{205} Po) = + 0.304(22).$$ From the temperature dependence of the anisotropies ofγ-lines in the decay of^205,207Po the multipole mixing of several transitions was derived. The electric interaction frequenciesv _Q=eQV_zz/h in the hosts Zn and Be were measured as $$\begin{gathered} v_Q (^{207} Po\underline {Zn} ) = + 42(3)MHz \hfill \\ v_Q (^{207} Po\underline {Be} ) = - 70(20)MHz \hfill \\ v_Q (^{205} Po\underline {Be} ) = - 42(17)MHz. \hfill \\ \end{gathered}$$      

NMR-on of182Ta and183Ta in Fe

Nuclear magnetic resonance has been observed on radioactive¹⁸²Ta and¹⁸³Ta oriented at low temperature in an Fe host, by detection of the change in spatial anisotropy of γ-rays emitted during nuclear decay. By measuring the resonant frequencies of¹⁸³Ta in four different applied magnetic fields the nuclear magnetic moment and hyperfine field have been deduced. These are: $$|\mu \left( {{}^{183}Ta; I = \tfrac{\user2{7}}{\user2{2}}} \right)| = 2.28(3)\mu _{\rm N} and B_{hf} \left( {Ta\underline {Fe} at 0 K} \right) = - 67.2(1.3)T$$ . The spin of the ground state of¹⁸²Ta has been determined asI=3 by comparing resonance results with those obtained in a thermal equilibrium nuclear orientation study. The ratio of the resonant frequencies observed for¹⁸²Ta and¹⁸³Ta at one applied field value yields a magnetic moment for the former of $$|\mu \left( {{}^{182}Ta; I = \user2{3}} \right)| = 2.91(3)\mu _{\rm N} $$ . The spin lattice relaxation time for¹⁸³TaFe (0.12 at% Ta) at 18 mK in an applied field of 0.5 T has been found to be 40(10) s.     

Magnetic field and pressure dependence of small angle neutron scattering in MnSi

We report small angle neutron scattering of spontaneous and magnetic field aligned components of the helical spin polarization in MnSi for temperatures T down to 0.35 K, at pressures p up to 21 kbar, and magnetic field B up to 0.7 T. The parameter range of our study spans the first order transition between helical order and partial magnetic order at p{c}=14.6 kbar, which coincides with the onset of an extended regime of non-Fermi liquid resistivity. Our study suggests that MnSi above p{c} is not dominated by the remnants of the first order transition at p{c}, but that an unidentified mechanism favors stabilization of a new ground state other than helical order.     

Slight Co-doping tuned magnetic and electric properties on cubic BaFeO3 single crystal

The single crystal of cubic perovskite BaFeO$_{3}$ shows multiple magnetic transitions and external stimulus sensitive magnetism. In this paper, a 5%-Co-doped BaFeO$_{3}$ (i.e. BaFe$_{0.95}$Co$_{0.05}$O$_{3})$ single crystal was grown by combining floating zone methods with high-pressure techniques. Such a slight Co doping has little effect on crystal structure, but significantly changes the magnetism from the parent antiferromagnetic ground state to a ferromagnetic one with the Curie temperature $T_{\rm C} \approx 120$ K. Compared with the parent BaFeO$_{3}$ at the induced ferromagnetic state, the saturated magnetic moment of the doped BaFe$_{0.95}$Co$_{0.05}$O$_{3}$ increases by about 10% and reaches 3.64 $\mu_{\rm B}$/f.u. Resistivity and specific heat measurements show that the ferromagnetic ordering favors metallic-like electrical transport behavior for BaFe$_{0.95}$Co$_{0.05}$O$_{3}$. The present work indicates that Co-doping is an effective method to tune the magnetic and electric properties for the cubic perovskite phase of BaFeO$_{3}$.     

EPR of 3d 5 and 3d 8 Ions in Crystals With Perchlorate Structure at High Pressure

EPR spectra for ions Ni 2+ (3d 5 ) and Mn 2+ (3d 5 ) substituting Zn 2+ in crystals Zn(BF 4 ) 2 ·6H 2 O are studied within a wide range under hydrostatic pressure in X and Q bands. It is shown that the pressure changes to a considerable extent the spectrum parameters of ion Mn 2+ , reducing axial parameter b_{2}^{0} and increasing cubic one b_{4}^{0} at 9 kbar pressure, there is no temperature dependency of parameter b_{2}^{0} . Hydrostatic pressure changes linearly the initial splitting of ion Ni 2+ and results to a change in D(b_{2}^{0}) sign, which means the spin levels inversion at 3.5 kbar.     

Neutron Diffraction Study of the p - T Phase Diagram for Erbium

Electrical resistivity measurements performed on a single crystal of erbium as a function of temperature and hydrostatic pressure have provided a preliminary p - T phase diagram. The results have been interpreted in terms of a model for the magnetic structures of Er deduced from neutron diffraction studies at ambient pressure. This model predicted the existence of a magnetic structure with a wave vector of Q =2/7 c * at 4.2 K, when the applied pressure is larger than 3 kbar. This paper reports a neutron diffraction study of erbium made in the temperature range of 4 to 100 K, at pressures between 0.5 and 6 kbar. We have observed the predicted suppression of the low temperature conical ferromagnetic phase and the emergence of a new phase with Q =8/33 c *. The neutron diffraction measurements has enabled us to identify the various phases that develop from the cycloidal phases previously observed at atmospheric pressure.     

Small magnetic polaron effect in lithium iron phosphates

The small polarons in LiFePO₄ are associated with the presence of Fe³⁺ ions introduced by the native defects in relative concentration in the samples known to be optimized with respect to their electrochemical properties. The nearest iron neighbours around the central polaron site are spin-polarized by the indirect exchange mediated by the electronic charge in excess. These small magnetic polarons are responsible for the interplay between electronic and magnetic properties that are quantitatively and self-consistently analysed. Comparison is made with other magnetic polaron effects in other members of the family of magnetic semiconductors to which this material belongs. Paper presented at the 11th Euro-Conference on Science and Technology of Ionics, Batz-sur-Mer, France, 9–15 September 2007.     

Neutron diffraction study of high-pressure-induced structural changes in the ammonium halogenides ND4Br and ND4Cl

Structural changes in the deuterated ammonium halogenides ND₄Br and ND₄Cl have been studied by neutron time-of-flight diffraction up to pressures of 45 and 35 kbar, respectively. Data on the equations of state and pressure dependence of the deuterium position parameter have been obtained. A comparison with the hydrogen-containing analogs showed that isotopic substitution of deuterium for hydrogen affects only slightly the compressibility of the systems under study, although the effect is noticeable for ND₄Cl. It has been established that the order-disorder transition from the phase with random deuterium distribution (CsCl cubic structure, space group Pm3m) to the ordered phase (same structure, space group ) occurs in both compounds at the same critical value of the position parameter u=0.153±0.002, which is apparently the same for all ammonium halogenides, and, possibly, for other systems of this structural type as well. Fiz. Tverd. Tela (St. Petersburg) 40, 142–146 (January 1998)     

Pressure-induced three-dimensional ferromagnetic correlations in the giant magnetocaloric compound Gd5Ge4

The giant magnetocaloric compound Gd5Ge4 is the only member of the Gd5(SixGe1-x)4 family where three-dimensional exchange interactions between two-dimensional correlated layers of the crystallographic structure are so weak that spontaneous ferromagnetism does not set in at any temperature. In this Letter we explore the possibility to reach the ferromagnetic state by application of hydrostatic pressure. Linear thermal expansion and magnetic measurements under pressure reveal that the reduction of the unit cell volume induces a spatially phase-segregated ground state below 10 kbar.     

Fe-doped SnO 2 nanopowders obtained by sol–gel and mechanochemical alloying with and without thermal treatment

The present work is aimed to compare the physical properties of $\mbox{Sn}_{1-x} \mbox{Fe}_x \mbox{O}_{2-\delta } $ (x?=?0, and 0.05) nanopowders obtained by sol–gel method, mechanochemical alloying, and mechanochemical alloying followed by thermal treatment. The X-ray diffraction of $\mbox{Sn}_{1-x} \mbox{Fe}_x \mbox{O}_{2-\delta } $ samples prepared by sol–gel showed peaks due to the cassiterite phase of SnO₂ and thier Mössbauer spectra showed ferromagnetic and paramagnetic signals. The samples obtained by the milling process of SnO₂ mixed with $\upalpha $ -Fe showed Bragg peaks due to SnO₂ (rutile) with a line broadening caused by the reduction of grain sizes and the presence of microstrains. Mössbauer spectra for these samples revealed the presence of Fe^3?+? as well as unreacted $\upalpha $ -Fe. In the case of mechanochemical alloying with thermal treatment, the incorporation of Fe^3?+? in the SnO₂ structure with the presence of impurities was observed.     

Electronic and optical properties of the zinc-blende structured LiZnN under pressure

The electronic and optical properties of the cubic zinc-blende (ZB) structured filled tetrahedral semiconductor α-LiZnN under pressure are investigated by using \textit{ab initio} plane wave pseudopotential density functional theory method within the generalized gradient approximation (GGA). The electronic band structure and the density of state under pressure are systematically described. The basic optical constants, including the reflection and absorption spectra, the energy-loss function, the complex refractive index and the dielectric function, are calculated and analysed at different external pressures. Our results suggested that the ZB α-LiZnN is transparent in the partially ultra-violet to the visible light region, and it seems that the transparency is hardly affected by the pressure.     

Magnetocrystalline anisotropy and dynamic spin reorientation of half-doped Nd_(0.5)Pr_(0.5)FeO_3 single crystal

The single crystals of Nd_(0.5)Pr_(0.5)FeO_3 were successfully grown by optical floating zone method.Room temperature x-ray diffraction and Laue photograph declared the homogeneity and high quality of the crystal.The significant magnetic anisotropy and multiple magnetic transitions illustrate the complex magnetic structure.At high temperatures(T 66 K),it shows the typical characteristics of Γ_4(G_x,A_y,F_z) state.With the decrease of the temperature,it undergoes a first-order spin reorientation transition from Γ_4(G_x,A_y,F_z) to Γ_2(F_x,C_y,G_z) state in the temperature window of 45-66 K under an applied magnetic field of 0.01 T.As the temperature drops to ～17 K,a new magnetic interaction mechanism works,which results in a further enhancement of magnetization.The T-H phase diagram of Nd_(0.5)Pr_(0.5)FeO_3 single crystal was finally constructed.