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Register a new userShort-range magnetic order and temperature-dependent properties of cupric oxide
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The temperature dependence of the optical and magnetic properties of CuO were examined by means of hybrid density functional theory calculations. Our work shows that the spin exchange interactions in CuO are neither fully one-dimensional nor fully three-dimensional. The large temperature dependence of the optical band gap and the 63Cu nuclear quadrupole resonance frequency of CuO originate from the combined effect of a strong coupling between the spin order and the electronic structure and the progressive appearance of short-range order with temperature.
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Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of multi-state memory devices that allow for electrical writing and non-destructive magnetic read-out operation. The great challenge is to create multiferroic materials that operate at room-temperature and have a large ferroelectric polarization P. Cupric oxide, CuO, is promising because of its large P ~ 10^{2} {mu}C.m^{-2}, but is unfortunately only multiferroic in a temperature range of 20 K, from 210 to 230 K. Here, using a combination of density functional theory and Monte Carlo calculations, we establish that pressure-driven phase competition induces a giant stabilization of the multiferroic phase of CuO, which at 20-40 GPa becomes stable in a domain larger than 300 K, from 0 to T > 300 K. Thus, under high-pressure, CuO is predicted to be a room-temperature multiferroic with large polarization.
The electric-field control of $d$-electron magnetism in multiferroic transition metal oxides is attracting widespread interest for the underlying fundamental physics and for next generation spintronic devices. Here, we report an extensive study of the $3d$ magnetism in magnetoelectric Ga$_{0.6}$Fe$_{1.4}$O$_3$ (GFO) epitaxial films by polarization dependent x-ray absorption spectroscopy. We found a non-zero integral of the x-ray magnetic circular dichroism, with a sign depending upon the relative orientation between the external magnetic field and the crystallographic axes. %By reliably enlarging the limit of the spin and orbital sum rules, which usually holds for materials where the magnetic ions exhibit a unique crystal field symmetry This finding translates in a sign-reversal between the average Fe magnetic orbital and spin moments. Large Fe-displacements, among some of the octahedral sites, lower the symmetry of the system producing anisotropic paths for the Fe-O bondings giving rise to a large orbital-lattice interaction akin to a preferential crystallographic direction for the magnetic orbital moment. The latter may lead to a partial re-orientation of the magnetic orbital moment under an external magnetic field that, combined to the ferrimagnetic nature of the GFO, can qualitatively explain the observed sign-reversal of the XMCD integral. The results suggest that a control over the local symmetry of the oxygen octahedra in transition metal oxides can offer a suitable leverage over the manipulation of the effective orbital and spin moments in magnetoelectric systems.
We present both numerical and analytical study of graphene roughness with a crystal structure including $500 times 500$ atoms. The roughness can effectively result in a random gauge field and has important consequences for its electronic structure. Our results show that its height fluctuations in small scales have scaling behavior with a temperature dependent roughness exponent in the interval of $ 0.6 < chi < 0.7 $. The correlation function of height fluctuations depends upon temperature with characteristic length scale of $ approx 90 {AA}$ (at room temperature). We show that the correlation function of the induced gauge field has a short-range nature with correlation length of about $simeq 2-3 {AA}$. We also treat the problem analytically by using the Martin-Siggia-Rose method. The renormalization group flows did not yield any delocalized-localized transition arising from the graphene roughness. Our results are in good agreement with recent experimental observations.
We propose a method for nano-scale characterization of long range magnetic order in diluted magnetic systems to clarify the origins of the room temperature ferromagnetism. The GaN:Mn thin films are grown by metal-organic chemical vapor deposition with the concentration of Ga-substitutional Mn up to 3.8%. Atomic force microscope (AFM) and magnetic force microscope (MFM) characterizations are performed on etched artificial microstructures and natural dislocation pits. Numerical simulations and theoretical analysis on the AFM and MFM data have confirmed the formation of long range magnetic order and ruled out the possibility that nano-clusters contributed to the ferromagnetism. We suggest that delocalized electrons might play a role in the establishment of this long range magnetic order.
Using density-functional theory calculations, we investigated the electronic structure and magnetic exchange interactions of the ordered 3d-5d double perovskite Sr2FeOsO6, which has recently drawn attention for interesting antiferromagnetic transitions. Our study reveals the vital role played by long-range magnetic exchange interactions in this compound. The competition between the ferromagnetic nearest neighbor Os-O-Fe interaction and antiferromagnetic next nearest neighbor Os-O-Fe-O-Os interaction induces strong frustration in this system, which explains the lattice distortion and magnetic phase transitions observed in experiments.
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