| 1. |
- Pal, Somnath, et al.
(författare)
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Effect of anti-site disorder on magnetism in La2NiMnO6
- 2018
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Ingår i: Physical Review B. - 2469-9950 .- 2469-9969. ; 97:16
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Tidskriftsartikel (refereegranskat)abstract
- La2NiMnO6 has been reported to exhibit a paramagnetic to ferromagnetic transition with a transition temperature of similar to 260 K. However, most of its magnetic properties, such as the saturation magnetization and even the transition temperature, appear to vary considerably among different reports. This is possibly because the crystallographic structure as well as the extent of the anti-site disorder (ASD) at the Ni/Mn sites are strongly influenced by the choice of synthesis routes. There are diverse reports connecting the extent of ASD to the valencies of Ni and Mn ions, such as Ni2+-Mn4+ and Ni3+-Mn3+, including suggestions of thermally induced valence transitions. Consequently, these reports arrive at very different conclusions on the mechanism behind the magnetic properties of La2NiMnO6. To address the correlation between ASD and valency, we have carried out a comparative study of two monoclinic La2NiMnO6 polycrystals with different degrees of ASD. Using a combination of x-ray absorption spectroscopy, x-raymagnetic circular dichroism, andmagnetometry, we conclude that the valency of the transition metal ions, and the transition temperature, are insensitive to the extent of ASD. However, we find the magnetic moment decreases strongly with an increasing ASD. We attribute this effect to the introduction of antiferromagnetic interactions in the anti-site disordered regions.
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| 2. |
- Phuyal, Dibya, et al.
(författare)
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The origin of low bandgap and ferroelectricity of a co-doped BaTiO3
- 2018
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Ingår i: Europhysics letters. - : IOP Publishing. - 0295-5075 .- 1286-4854. ; 124:2
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Tidskriftsartikel (refereegranskat)abstract
- We recently demonstrated the lowest bandgap bulk ferroelectric material, BaTi1-x(Mn1/2Nb1/2)xO3, a promising candidate material for visible light absorption in opto- electronic devices. Using a combination of x-ray spectroscopies and density functional theory (DFT) calculations, we here elucidate this compound’s electronic structure and the modifications induced by Mn doping. In particular, we are able to rationalize how this compound retains its ferroelectricity even through a significant reduction of the optical gap upon Mn doping. The local electronic structure and atomic coordination are investigated using x-ray absorption at the Ti K, Mn K, and O K edges, which suggests only small distortions to the parent tetragonal ferroelectric system, BaTiO3, thereby providing a clue to the substantial retention of ferroelectricity in spite of doping. Features at the Ti K edge, which are sensitive to local symmetry and an indication of Ti off-centering within the Ti-O6 octahedra, show modest changes with doping and strongly corroborates with our measured polarization values. Resonant photoelectron spectroscopy results suggest the origin of the reduction of the bandgap in terms of newly created Mn d bands that hybridize with O 2p states. X-ray absorption spectra at the O K-edge provide evidence for new states below the conduction band of the parent compound, illustrating additional contributions facilitating bandgap reduction.
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