Neutron diffraction studies of Tb2Rh3Si5 compound

In this work neutron diffraction studies of Tb₂Rh₃Si₅ compound are reported. The compound crystallizes in the monoclinic crystal structure of Lu₂Co₃Si₅-type. At 1.5 K an antiferromagnetic ordering with a propagation vector k=(1/2;1/2;1/2) was observed. The Tb magnetic moments of 9.8(2) μ_B form a non-collinear magnetic structure. In the vicinity of Néel temperature of 8 K a change of the magnetic ordering is evidenced. The change seems to be connected with phase transition from commensurate to incommensurate sine-wave modulation of the Tb magnetic moments.     

Low temperature thermodynamical properties of ErCu2Si2

ErCu₂Si₂ crystallises in the tetragonal ThCr₂Si₂-type crystal structure. In this paper results of magnetometric, electrical transport, specific heat as well as neutron diffraction are reported. Results of electrical resistivity and specific heat measurements performed at low temperature yield existence of magnetic ordering roughly at 1.3 K. These results are in concert with neutron diffraction measurements, which reveal simple antiferromagnetic ordering between 0.47 and 1.00 K. At temperatures ranging from 1.00 up to 1.50 K an additional incommensurate magnetic structure was observed. The propagation vector k=(0;0;0.074) was proposed to describe magnetic reflections within the amplitude modulated magnetic structure. Basing on specific heat studies the crystal field levels splitting scheme and magnetic entropy were calculated.     

Magnetic properties of NdAu2Ge2

Physical properties of NdAu₂Ge₂, crystallising with the tetragonal ThCr₂Si₂-type crystal structure, were investigated by means of magnetic, calorimetric and electrical transport measurements as well as by neutron diffraction. The compound exhibits antiferromagnetic ordering below T_N=4.5 K with a collinear magnetic structure of the AFI-type. The neodymium magnetic moments are parallel to the c-axis and amount to 1.04(4) μ_B at 1.5 K. The observed magnetic behaviour is strongly influenced by crystalline electric field effect.     

The magnetic behavior of La1−xTbxMn2Si2 (0≤x≤0.3) in weak magnetic fields

The structure and magnetic properties of La_1−xTb_xMn₂Si₂ (0≤x≤0.3) were studied by X-ray powder diffraction and DC magnetization measurements. All the compounds crystallize in ThCr₂Si₂-type structure. Substitution of Tb for La led to a linear decrease in the lattice constants and the unit-cell volume. A ferromagnetic phase for x≤0.15, and an antiferromagnetic phase for x=0.3 have been observed at about room temperature, whereas the compounds with x=0.2 and 0.25 exhibit a magnetic phase transition from ferromagnetism to antiferromagnetism.     

The influence of substitution of Co for Mn on magnetism of the HoMn6−xCoxSn6 compounds (0⩽x⩽0.25)

We have studied the effects of Co substitution for Mn on the structure and magnetic properties of the HoMn_6−xCo_xSn₆ compounds (0?x?0.25) with HfFe₆Ge₆-type structure (space group P6/mmm) by X-ray powder diffraction and magnetization measurements. A monotonic decrease of the lattice parameters a and c is observed with increasing Co content. While the compounds with x=0 and 0.05 exhibit ferrimagnetism in the whole temperature range, the compounds with 0.1?x?0.15 show ferrimagnetism, helimagnetism and re-entrant ferrimagnetism with decreasing temperature. For the compounds with x=0 and 0.05, the spin reorientation temperature is observed. A metamagnetic transition from helimagnetic magnetic ordering to ferrimagnetism is observed for the compounds with x=0.1 and 0.2. The results are summarized in the HoMn_6−xCo_xSn₆ magnetic phase diagram.     

Crystal and magnetic structure of Ho2NiGe6

The crystal and magnetic structure of Ho₂NiGe₆ was studied by powder neutron diffraction. The paramagnetic neutron diffraction data confirmed the Ce₂CuGe₆-type crystal structure reported earlier for this compound. Below the Néel temperature equal to 11 K the Ho magnetic moments form a uniaxial antiferromagnetic ordering. The Ho magnetic moments equal to 8.16(7)μ_B at 1.5 K are parallel to the b-axis. The data are compared with those published for HoNi_0.46(6)Ge₂.     

Magnetic anomalies in single crystalline ErPd2Si2

Considering certain interesting features in the previously reported ¹⁶⁶Er Mössbauer effect, and neutron diffraction data on the polycrystalline form of ErPd₂Si₂ crystallizing in the ThCr₂Si₂-type tetragonal structure, we have carried out magnetic measurements (1.8–300 K) on the single crystalline form of this compound. We observe significant anisotropy in the absolute values of magnetization (indicating that the easy axis is c-axis) as well as in features due to magnetic ordering in the plot of magnetic susceptibility χ versus temperature T at low temperatures. The χ(T) data reveal that there is a pseudo-low-dimensional magnetic order setting in at 4.8 K, with a three-dimensional antiferromagnetic order setting in at a lower temperature (3.8 K). A new finding in the χ(T) data is that, for H∥〈1 1 0〉 but not for H∥〈0 0 1〉, there is a broad shoulder in the range 8–20 K, indicative of the existence of magnetic correlations above 5 K as well, which could be related to the previously reported slow-relaxation-dominated Mössbauer spectra. Interestingly, the temperature coefficient of electrical resistivity is found to be isotropic; no feature due to magnetic ordering could be detected in the electrical resistivity data at low temperatures, which is attributed to magnetic Brillioun-zone boundary gap effects. The results reveal the complex nature of magnetism of this compound.     

Magnetic and structural instabilities in the hexagonal Laves hydride ErMn2H4.6 under high-pressure

The structural and magnetic properties of ErMn₂H_4.6 have been studied by X-ray and neutron diffraction up to the pressures of 15 and 6 GPa, respectively. In the pressure range 0<P<3 GPa we observe a first-order phase transition to new high-pressure (HP) phase. The HP phase has the same hexagonal unit cell as the ambient-pressure phase but smaller lattice parameters (ΔV/V=−5%). The structural transition results in suppression of the long-range antiferromagnetic order. Our results suggest that pressure changes positions of the hydrogen atoms in the metal host. We speculate that the new arrangement of hydrogen atoms induces spin frustration and, therefore, suppresses long-range magnetic order in the HP phase.     

First principles study of the electron structures of CaCu3Mn4O12 and CaCu3Ti4O12

The electronic structures of CaCu₃Mn₄O₁₂ and CaCu₃Ti₄O₁₂ are investigated from HF SCF LCAO calculation. In CaCu₃Mn₄O_12, the band and the density of states show a spin asymmetric ferrimagnetic character with a small energy gap. The Mn spin is anti-aligned with the Cu spin, and the total spin moment is 9 μ_B. Our calculation correctly reproduces the observed antiferromagnetic insulating character of CaCu₃Ti₄O₁₂. The gap in the band structure, which is 2.15 eV, reasonably agrees with the experimental value 1.5 eV. The electron density populations at different planes show clearly that the electron density has symmetric character. A tilted Mn(Ti) orbital implies a typical tilted three-dimensional network of MnO₆ (TiO₆) octahedra due to doping of the Jahn–Teller ion Cu. There is no covalency between Ca, Cu and Mn(Ti) atoms. In contrast, there are stronger bonds and somewhat likely covalency between Cu and O atoms, and also between Mn(Ti) and O atoms.     

Magnetic phase coexistence in Tb- and Sr-doped La0.7Ca0.3MnO3 manganite:A temperature-dependent neutron diffraction study

We report the results of the temperature-dependent neutron diffraction measurements on the nearly half-doped (La_0.325Tb_0.125)(Ca_0.3Sr_0.25)MnO₃ manganite sample. The simultaneous doping of magnetic Tb³⁺ and divalent Sr²⁺ in the La_0.7Ca_0.3MnO₃ system results into a large A-site size disorder. Rietveld refinement of neutron diffraction data reveal that the single phase sample crystallizes in a distorted orthorhombic structure. Increased 〈r_A〉 value affects the transport behavior that results into an insulating-like behavior of the sample. Under application of 1 T field sample exhibit insulating-like behavior while insulator-metal transition (T_IM) is exhibited under 5 and 8 T fields. Variable range hoping (VRH) mechanism of charge carriers is exhibited in the insulating region. Field cooled and zero field cooled magnetization measurement shows the Curie temperature (T_C)~47 K. The refinement of the ND data collected at various temperatures below 300 K shows that there is no structural phase transition in the compound. Around 100 K, a magnetic peak appears at lower angle that can be ascribed to the presence of the A-type antiferromagnetic (AFM) phase. Two more peaks are observed around 50 K at lower angles that can be fitted in CE-type antiferromagnetic phase. Splitting of the peaks at lower temperatures is the signature of orbital ordering in the presently studied nearly half-doped manganite system. Results of the detailed structural analysis of the temperature-dependent ND measurements on (LaTb)_0.45(CaSr)_0.55MnO₃ sample has been discussed in the light of coexisting A-type and CE-type antiferromagnetic phases present in the sample at low temperature.     

Magnetic study of CaMn0.96Mo0.04O3, canting vs. phase separation

CaMn_0.96Mo_0.04O₃ is an example of Mn⁴⁺ rich perovskite manganites, which exhibits a net ferromagnetic component at low temperature, observed by dc magnetization and ac susceptibility. To characterize the magnetic state of this compound, neutron powder diffraction was carried out in the 2-400 K temperature range, showing that it is necessary to use three components (ferromagnetic and G- and A-type antiferromagnetic) to describe it. This particular state is in agreement with the unusual magnetic behaviour observed by macroscopic measurements and is compared to the one observed for manganites with similar Mn valence but obtained by A-site substitution.     

Magnetostriction in the rare-earth ferroborates RFe3(BO3)4, R=Pr and Tb

Recent experimental data for magnetostriction in the rare-earth (RE) ferroborates RFe₃(BO₃)₄ with R=Pr and Tb are discussed from a theoretical point of view. Multipole moments of RE ions are calculated in the framework of a crystal-field model for the RE ion and the molecular-field approximation. Quadrupole approximation is shown to be sufficient for interpretation of data for longitudinal magnetostriction at the magnetic field along the trigonal axis. Parameters of PrFe₃(BO₃)₄ are deduced when accounting for the experimental magnetization curves that manifest a spin-flop transition.     

High-resolution neutron powder diffraction study on the structure of BaPbO3

Using high-resolution time-of-flight neutron powder diffraction, the crystal structure of BaPbO₃ has been reinvestigated at room temperature and 4.2 K. By comparing different structural models, i.e. the orthorhombic Imma and the monoclinic I2/m, it is concluded that the former one describes correctly the structure of BaPbO₃, and no Imma→I2/m phase transition exists in the temperature range investigated. The apparent monoclinic distortion is likely due to the existence of twins that introduce the micro strain resulting in anisotropic line broadening of the observed profiles.     

Electron-doped Sm1−xSrxMnO3 perovskite manganites: Crystal and magnetic structures and physical properties

We present the results of a study of electron-doped Sm_1−xSr_xMnO₃ (x>0.5) perovskite manganites by combining high-resolution neutron powder diffraction with measurements of resistivity, magnetization and magnetic susceptibility. Although investigated Sm_0.45Sr_0.55MnO₃ and Sm_0.37Sr_0.63MnO₃ compounds belonging to the same phase diagram area differ significantly in the strontium content, they are homogeneous antiferromagnetic (AF) insulators and do not exhibit CMR. They have different crystallographic symmetries (orthorhombic Pbnm and tetragonal I4/mcm, respectively) in the entire temperature range under study (1.5-288 K), differ in the type of spin ordering at low temperatures (AF-A and AF-C), are characterized by different orbital polarizations (d_x²_−y² and d_3z²_−r²), and possess two- and one-dimensional magnetic properties, respectively. The lack of magnetoresistance for these compositions is explained by the lack of coexisting magnetic phases involving double exchange ferromagnetism, in contrast to what is observed for the magnetoresistive Sm_1−xSr_xMnO₃ compounds, that is with x?0.52.     

Proton NMR study of α-MnH0.06

Proton nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates for the solid solution α-MnH_0.06 have been measured over the temperature range 11-297 K and the resonance frequency range 20-90 MHz. A considerable shift and broadening of the proton NMR line and a sharp peak of the spin-lattice relaxation rate are observed near 130 K. These effects are attributed to the onset of antiferromagnetic ordering below the Néel temperature T_N≈130 K. The proton NMR line does not disappear in the antiferromagnetic phase; this suggests a small magnitude of the local magnetic fields at H-sites in α-MnH_0.06. The spin-lattice relaxation rate in the paramagnetic phase is dominated by the effects of spin fluctuations.     

Magnetic properties of the compounds ThCO2Ge2 and ThCo2Si2

Rather old preparation of the compounds ThCo₂Ge₂ and ThCo₂Si₂ and their magnetic study in the temperature range 100–570 K, published by Omejec and Ban [Z. Anorg. Allg. Chem. 380 (1971) 111], indicated that both compounds ordered ferrromagnetically below 100 K. In order to verify the old data, polycrystalline samples of ThCo₂Ge₂ and ThCo₂Si₂ have been prepared by arc melting and subsequent annealing, and studied by X-ray diffraction at room temperature (RT), by superconducting quantum interference device (SQUID)-magnetization and AC-susceptibility measurements at 2–320 K, and by dc-magnetization measurements in variable magnetic fields up to 120 kOe at 5, 80, and 283 K. The magnetic measurements confirm the ferromagnetic ordering in both compounds, but with totally different Curie temperatures: ≈120(20) K for ThCo₂Ge₂ and above 320 K for ThCo₂Si₂. The paramagnetic values of ThCo₂Ge₂ and the ordering of both compounds are discussed and compared with the old results of Omejec and Ban.     

Study of CeNi4Mn by neutron diffraction

We report neutron diffraction measurements on CeNi₄Mn, which has recently been identified as a soft ferromagnet with a sizeable spin-transport polarization. Our data show conclusively that the Mn atoms occupy a unique site (4c) in the unit cell, which has the symmetry of the cubic MgCu₄Sn-type structure. We infer a moment of 4.6 μ_B on Mn at 17 K, which is oriented ferromagnetically along the {101} plane. The amplitude of the Mn vibrational motion is found to be larger than that of Ce and Ni atoms at all temperatures, thereby lending support to theoretical prediction of rattling phonon modes in this compound.     

Magnetic and transport properties of double distorted perovskites CaCuMn6O12 and CaCu2Mn5O12

Magnetic and transport properties of double distorted perovskites CaCuMn₆O₁₂ and CaCu₂Mn₅O₁₂ are studied in a range 2–300 K. The leading role in magnetism of these compounds belongs to antiferromagnetic exchange interaction of Cu²⁺ in square coordination with Mn³⁺/Mn⁴⁺ in octahedral coordination. The values of saturation magnetization indicate that Mn³⁺ ions in square coordination are coupled ferromagnetically with Mn³⁺/Mn⁴⁺ in octahedral coordination. The colossal magnetoresistance in the pellet samples is due assumingly to intergranular spin-polarized tunneling of current carriers.