S. K. Paranjpe

A neutron diffractometer with a linear position sensitive detector

A powder diffractometer with a linear position sensitive detector (PSD) has been designed and fabricated at BARC. The system is in operation at Dhruva reactor. The PSD has been tested for the position linearity and the uniformity of efficiency. The resolution Δd/d of the diffractometer has been found to be 1·3%. The data can be analyzed using profile refinement technique.

Structural study and electrical properties of Zr-doped Nd2Sn2O7 pyrochlore compounds

Nd2Sn2O7 pyrochlores with the substitution of Zr4+ were prepared by conventional ceramic double sintering technique. The single-phase formation was confirmed by X-ray diffraction and neutron diffraction techniques. Relative intensity calculations for X-ray diffraction analysis were performed for oxygen positional parametersx = 0.331 and 0.375, while Rietveld refinements were employed for neutron diffraction data. The neutron diffraction study revealed that there are only two anion sites with 48f and 8b positions. This indicates that the 8a site, i.e. O(3) sublattice, is completely vacant and the structure is a perfect cubic pyrochlore with space group Fd3m (Oh7). From the conductivity measurements, it is observed that the electronic conductivity dominates from room temperature up to about 525 K and forT > 525 K, the oxygen ion conduction dominates the charge transport in these compositions. Complex impedance spectroscopy indicates the existence of grain and grain boundary as two separate elements.

Magnetic behaviour of TbMnFe

Neutron diffraction and Mössbauer measurements have been carried out on the cubic Laves phase intermetallic TbMnFe. The magnetic moment on the transition metal atom is found to be low, 0.2µB, at room temperature. This moment is temperature independent down to 10 K. Magnetic moment on the rare earth atom varies from 2.5µB at 296 K to 7.27µB at 10 K. Mössbauer spectra recorded at 298 K and 78 K have magnetic character but there is a large distribution of hyperfine field values. Both these features arise due to magnetic frustration created in the sample due to the competing ferro and antiferromagnetic interactions between the transition metal atoms.

Magnetization and neutron diffraction studies on FeCrP

Crystal structure and magnetic behaviour of FeCrP have been investigated using magnetization and neutron diffraction measurements. FeCrP crystallizes in orthorhombic FeZrP type structure (Pnma space group,Z = 4) in which Cr atoms occupy the pyramidal site and Fe atoms occupy the tetrahedral site with total preference. Structural parameters including positional parameters have been refined. The refined values of positional parameters for Fe and Cr are quite different from those in FeZrP. The nature of magnetization-temperature curve is suggestive of antiferromagnetic nature withTN = 280 (±10) K. Preliminary analysis of neutron diffraction pattern at 13 K is indicative of a rather complicated magnetic structure.

Non-spherical magnetic moment in MnAlGe

The magnetic structure factors of MnAlGe (space groupP4/nmm) measured with polarised neutrons have been expressed in terms of the magnetic moment of the Mn atom (site symmetry tetrahedral with tetragonal distortion), the Bessel transforms 〈jn〉 of the Mn radial functions and the fractional occupancies of the moment density in the various crystal field orbitals. The measured structure factors were least-squares fitted with the theoretical expression involving 〈jn〉 appropriate to the Mn0, Mn+ and Mn2+ atoms. The best fit was got using Mn0 transforms, yielding 1·45µB as the Mn magnetic moment. The fractional occupancies of the moment density in the crystal field orbitalsA1g,B1gEg andB2g were obtained. This analysis shows the magnetic moment to be highly non-spherical with a large fractional occupancy (38%) in theA1g orbital directed along the tetragonal axis while the fractional occupancies ofB1g andB2g are found to be 31% and 30% respectively. The fractional occupancy of the moment in theEg orbital directed towards the Ge and Al atoms is very low (1%). The spatially averaged moment density of Mn in MnAlGe is more diffuse than that of Mn I and Mn II in isostructural Mn2Sb.

Magnetic behaviour of (Fe0.85Cr0.15)2As

Magnetization and neutron diffraction measurements have been made on the title pseudo-binary of tetragonal anti-ferromagnets Fe2 As and Cr2 As. In this system antiferromagnetic (AFM) ordering appears below 310 K. The moments are confined in theab plane but unlike in the end members they are tilted off thea-axis. In addition to the AFM structure a weak ferromagnetic behaviour shows up below∼80 K with a rather low moment of ∼0.07 μB per formula unit at 5 K and under a field of 3 T.

Neutron diffraction studies of transition metal nitrides

The magnetic structures of Fe4N and Mn4N have been redetermined using neutron diffraction. The magnetic form factors, obtained from polarised neutron data have been shown to be different for the face-centred and corner atoms. A qualitative explanation of the structures of Fe4N and Mn4N has been provided from the shapes of the magnetic form factors.