Complex Field-Induced States in Linarite PbCuSO4(OH)2 with a Variety of High-Order Exotic Spin-Density Wave States.

Low-temperature neutron diffraction and NMR studies of field-induced phases in linarite are presented for magnetic fields H∥b axis. A two-step spin-flop transition is observed, as well as a transition transforming a helical magnetic ground state into an unusual magnetic phase with sine-wave-modulated moments ∥H. An effective J[over ˜]_{1}-J[over ˜]_{2} single-chain model with a magnetization-dependent frustration ratio α_{eff}=-J[over ˜]_{2}/J[over ˜]_{1} is proposed. The latter is governed by skew interchain couplings and shifted to the vicinity of the ferromagnetic critical point. It explains qualitatively the observation of a rich variety of exotic longitudinal collinear spin-density wave, SDW_{p}, states (9≥p≥2).

Antiferromagnetic structure in tetragonal CuMnAs thin films.

Tetragonal CuMnAs is an antiferromagnetic material with favourable properties for applications in spintronics. Using a combination of neutron diffraction and x-ray magnetic linear dichroism, we determine the spin axis and magnetic structure in tetragonal CuMnAs, and reveal the presence of an interfacial uniaxial magnetic anisotropy. From the temperature-dependence of the neutron diffraction intensities, the Néel temperature is shown to be (480 ± 5) K. Ab initio calculations indicate a weak anisotropy in the (ab) plane for bulk crystals, with a large anisotropy energy barrier between in-plane and perpendicular-to-plane directions.

(3 + 1)-dimensional crystal and antiferromagnetic structures in CeRuSn.

At 320 K, the crystal structure of CeRuSn is commensurate with the related CeCoAl-type of structure by the doubling of the c lattice parameter. However, with lowering the temperature it becomes incommensurate with x and z position parameters at all three elemental sites being modulated as one moves along the c-axis. The resulting crystal structure can be conveniently described within the superspace formalism in (3 + 1) dimensions. The modulation vector, after initially strong temperature dependence, approaches a value close to qnuc = (0 0 0.35). Below TN = 2.8 (1) K, CeRuSn orders antiferromagnetically with a propagation vector qmag = (0 0 0.175), i.e. with the magnetic unit cell doubled along the c-axis direction with respect to the incommensurate crystal structure. Ce moments appear to be nearly collinear, confined to the a-c plane, forming ferromagnetically coupled pairs. Their magnitudes are modulated between 0.11 and 0.95 µB as one moves along the c-axis.

Structure and bonding of superconducting LaC2.

We have synthesized polycrystalline samples of superconducting LaC2 and investigated them by x-ray and neutron powder diffraction, magnetic susceptibility and heat capacity measurements. Depending on the preparation conditions we find superconductivity below ~1.8 K. A comparison of the superconducting anomaly in the heat capacity with theoretical predictions indicates LaC2 to be a weak-coupling BCS-type superconductor. Evidence for a structural phase transition has not been found from the neutron powder diffraction experiments carried out down to 4 K. A negative thermal expansion of the c lattice parameter was observed below ~50 K. The electronic structure of LaC2 has been calculated ab initio and it is compared with that of YC2. The carbon-carbon distance of LaC2 has been determined from the neutron powder diffraction experiments and it is compared and discussed with respect to those observed in other superconducting binary and ternary La and Y carbides and carbide halides.

Magnetic frustration in a quantum spin chain: the case of linarite PbCuSO4(OH)2.

We present a combined neutron diffraction and bulk thermodynamic study of the natural mineral linarite PbCuSO4(OH)2, this way establishing the nature of the ground-state magnetic order. An incommensurate magnetic ordering with a propagation vector k=(0,0.186,1/2) was found below T(N)=2.8 K in a zero magnetic field. The analysis of the neutron diffraction data yields an elliptical helical structure, where one component (0.638µ(B)) is in the monoclinic ac plane forming an angle with the a axis of 27(2)°, while the other component (0.833µ(B)) points along the b axis. From a detailed thermodynamic study of bulk linarite in magnetic fields up to 12 T, applied along the chain direction, a very rich magnetic phase diagram is established, with multiple field-induced phases, and possibly short-range-order effects occurring in high fields. Our data establish linarite as a model compound of the frustrated one-dimensional spin chain, with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor interactions. Long-range magnetic order is brought about by interchain coupling 1 order of magnitude smaller than the intrachain coupling.

The field and temperature dependence of the magnetic and structural properties of the shape memory compound Ni(1.84)Mn(1.64)In(0.52).

Magnetization and high resolution neutron powder diffraction measurements have been made on the magnetic shape memory alloy Ni(1.84)Mn(1.64)In(0.52). The compound undergoes a broad structural phase transition, which on heating starts at ∼150 K and finishes at ∼215 K. On cooling there is a ∼20 K hysteresis. The high temperature parent phase is cubic (a = 5.988 Å) with the L2(1) structure in which the excess Mn atoms occupy the vacancies on the Ni and In sites. The magnetic moment is located mainly on the Mn atoms with the same magnitude on both the 4a (Mn) and 4b (In) sites. The low temperature martensite is monoclinic with parameters a = 4.405(2), b = 5.553(2), c = 12.950(2) Å, ß = 86.47(10)° and space group P2/m. The magnetic properties of the martensitic phase are complex and indicate metamagnetic behaviour.

Magnetic and structural properties of the magnetic shape memory compound Ni(2)Mn(1.48)Sb(0.52).

Magnetization and high resolution neutron powder diffraction measurements on the magnetic shape memory compound Ni(2)Mn(1.48)Sb(0.52) have confirmed that it is ferromagnetic below 350 K and undergoes a structural phase transition at T(M)≈310 K. The high temperature phase has the cubic L2(1) structure with a = 5.958 Å, with the excess manganese atoms occupying the 4(b) Sb sites. In the cubic phase above ≈310 K the manganese moments are ferromagnetically aligned. The magnetic moment at the 4(a) site is 1.57(12) µ(B) and it is almost zero (0.15(9) µ(B)) at the 4(b) site. The low temperature orthorhombic phase which is only fully established below 50 K has the space group Pmma with a cell related to the cubic one by a Bain transformation a(orth) = (a(cub) + b(cub))/2; b(orth) = c(cub) and c(orth) = (a(cub) - b(cub)). The change in cell volume is ≈2.5%. The spontaneous magnetization of samples cooled in fields less than 0.5 T decreases at temperatures below T(M) and at 2 K the magnetic moment per formula unit in fields up to 5.5 T is 2.01(5) µ(B). Neutron diffraction patterns obtained below ≈132 K gave evidence for a weak incommensurate magnetic modulation with propagation vector (2/3, 1/3, 0).

Atomic and magnetic order in the shape memory alloy Mn2NiGa.

Magnetization and high resolution neutron powder diffraction measurements on the magnetic shape memory alloy Mn(2)NiGa have confirmed that it is ferromagnetic with a Curie temperature above 500 K. The compound undergoes a broad structural phase transformation ΔT ∼ 90 K with a mean transition temperature T(M) ∼ 270 K. The high temperature parent phase is cubic (a = 5.937 Å) and has a modified L 2(1) structure. At 500 K the ordered magnetic moment essentially all on the 4a site is 1.35 µ(B)/Mn. The low temperature martensite has space group I4/mmm and is related to the cubic phase through a Bain transformation a(tet) = (a(cub) + b(cub))/2, b(tet) = (a(cub) - b(cub)) and c(tet) = c(cub) in which the change in cell volume is < 2.6%. In this structure at 5 K the ordered moment of ≈2.3 µ(B) is again found to be confined to the sites with full Mn occupation and is aligned parallel to c. Neutron diffraction patterns obtained at 5 K suggested the presence of a weak incommensurate antiferromagnetic phase characterized by either a ((1/3)0(1/3)) or (00(1/3)) propagation vector.

On the ferromagnetic structure of the intermetallic borocarbide TbCo(2)B(2)C.

Based on magnetization, specific heat, magnetostriction and neutron-diffraction studies on single-crystal TbCo(2)B(2)C, it is found out that the paramagnetic properties, down to liquid nitrogen temperatures, are well described by a Curie-Weiss behavior of the Tb(3+) moments. Furthermore, below T(c) = 6.3 K, the Tb sublattice undergoes a ferromagnetic (FM) phase transition with the easy axis being along the (100) direction and, concomitantly, the unit cell undergoes a tetragonal-to-orthorhombic distortion. The manifestation of an FM state in TbCo(2)B(2)C is unique among all other isomorphous borocarbides, in particular TbNi(2)B(2)C (T(N) = 15 K, incommensurate modulated magnetic state) even though the Tb ions in both isomorphs have almost the same crystalline electric field properties. The difference among the magnetic modes of these Tb-based isomorphs is attributed to a difference in their exchange couplings which are in turn caused by a variation in their lattice parameters and in the position of their Fermi levels.

Magnetic structures of quaternary intermetallic borocarbides RCo(2)B(2)C (R = Dy, Ho, Er).

The magnetic structures of the title compounds have been studied by neutron diffraction. In contrast to the isomorphous RNi(2)B(2)C compounds, wherein a variety of exotic incommensurate modulated structures has been observed, the magnetic structure of ErCo(2)B(2)C is found to be a collinear antiferromagnet with [Formula: see text] while those of HoCo(2)B(2)C and DyCo(2)B(2)C are observed to be simple ferromagnets. For all studied compounds, the moments are found to be confined within the basal plane and their magnitudes are comparable to the values obtained from the low-temperature isothermal magnetization measurements. The absence of modulated magnetic structures in the RCo(2)B(2)C series (for ErCo(2)B(2)C, verified down to 50 mK) is attributed to the quenching of the Fermi surface nesting features.

Magnetic structure of the kagome mixed compound (Co(0.5)Ni(0.5))(3)V(2)O(8).

We report the magnetic structure of (Co(0.5)Ni(0.5))(3)V(2)O(8) (CNVO) deduced by single crystal neutron diffraction. This compound exhibits features which differ from that of its parent compounds, which are absolutely collinear along the a axis for Co(3)V(2)O(8) (CVO) or exhibit magnetic moments predominantly in the a-b plane with small components along c in the case of Ni(3)V(2)O(8) (NVO). The averaged magnetic moments of the statistically distributed Ni(2+) and Co(2+) ions in CNVO are oriented in the a-c plane and form loops of quasiferromagnetically coupled spins. These loops are connected along the a axis and separated along the c axis by cross-tie spins forming a quasiferromagnetic wave with the upper part of the respective neighbouring loops. The magnetic moments are sinusoidally modulated by the propagation vector k = (0.49,0,0) with an average amplitude of 1.59(1) µ(B) for a magnetic ion on a cross-tie site and 1.60(1) µ(B) for the spine site. In addition to neutron diffraction, specific heat and magnetization data, which confirm that the only magnetic phase transition above 1.8 K is the onset of antiferromagnetic order at T(N) = 7.4(1) K, are presented.

Down to the quantum limit at the neutral-to-ionic phase transition of (BEDT-TTF)-(ClMe-TCNQ): symmetry analysis and phase diagram.

We report on the neutral-to-ionic (N-I) phase transition in the one-dimensional organic complex (BEDT-TTF)-(ClMeTCNQ). The X-ray studies at room temperature show that the neutral phase of (BEDT-TTF)-(ClMeTCNQ) is already characterized by a polar long-range ordering, at variance with other charge-transfer compounds comprising noncentrosymmetric molecules. From a detailed neutron diffraction study of this complex under high pressure, we present the phase diagram of the N-I transition down to the quantum limit. We discuss the symmetry breaking associated with the transition and the evolution of its first-order character under pressure.

Magnetic ground state of pure and doped CeFe2.

A combination of neutron elastic and inelastic, resonant x-ray scattering, and 57Fe Mössbauer experiments are used to determine the unusual magnetic ground state of CeFe2. The complementarities between different time-scale techniques may allow one to understand the dynamic features of the ground state in CeFe2 and its pseudobinary compounds, and how the frustration of Fe tetrahedra leads the appearance of antiferromagnetic fluctuations in the presence of ferrimagnetism. The resulting model can be used to rationalize many of the unusual and conflicting experimental results reported for this material in the literature.

Formation of a magnetic soliton lattice in copper metaborate.

The magnetic ground state of CuB2O4 is incommensurate at T = 1.8 K and undergoes a continuous phase transition to a noncollinear commensurate antiferromagnetic state at T(small star), filled approximately 10 K. Close to T(small star), filled higher-order magnetic satellites are observed. Coexistence of long- and short-range magnetic order is observed in both magnetic phases. This suggests that the association of the Dzyaloshinskii-Moriya interaction and anisotropy leads to the formation of a magnetic soliton lattice.