ترغب بنشر مسار تعليمي؟ اضغط هنا

Investigation of the crystal and magnetic structures of the trigonal multiferroic iron-boracite Fe3B7O13(OH)

112   0   0.0 ( 0 )
 نشر من قبل Gwilherm N\\'enert
 تاريخ النشر 2014
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

We have investigated the crystal and magnetic structures of the trigonal iron-boracite Fe3B7O13X with X = OH by neutron diffraction. Neutron diffraction enables us to locate the hydrogen atom of the hydroxyl group and determine the magnetic ground state of this member of the multiferroic boracite family. No evidence was found for a monoclinic distortion in the magnetic ordered state. The magnetic symmetry allows for magnetoelectric and ferroelectric properties. The N/eel tempera- ture TN of 4.86(4) K confirms the general trends within the boracites that TN decreases from X = I > Br > Cl > OH. Surprisingly while Fe3B7O13OH exhibits the largest frustration with $|theta/T_N| = 5.6$ within the Fe3B7O13X series, no reduction of the magnetic moment is found using neutron diffraction.



قيم البحث

اقرأ أيضاً

The magnetic properties of two-dimensional VI3 bilayer are the focus of our first-principles analysis, highlighting the role of trigonal crystal-field effects and carried out in comparison with the CrI3 prototypical case, where the effects are absent . In VI3 bilayers, the empty a1g state - consistent with the observed trigonal distortion - is found to play a crucial role in both stabilizing the insulating state and in determining the inter-layer magnetic interaction. Indeed, an analysis based on maximally localized Wannier functions allows to evaluate the interlayer exchange interactions in two different VI3 stackings (labelled AB and AB), to interpret the results in terms of virtual-hopping mechanism, and to highlight the strongest hopping channels underlying the magnetic interlayer coupling. Upon application of electric fields perpendicular to the slab, we find that the magnetic ground-state in the AB stacking can be switched from antiferromagnetic to ferromagnetic, suggesting VI3 bilayer as an appealing candidate for electric-field-driven miniaturized spintronic devices.
We present a 57Fe Mossbauer spectroscopy study of the two incommensurate magnetic phases in the multiferroic material FeVO4. We devise lineshapes appropriate for planar elliptical and collinear modulated magnetic structures and show that they reprodu ce very well the Mossbauer spectra in FeVO4, in full qualitative agreement with a previous neutron diffraction study. Quantitatively, our spectra provide precise determinations of the characteristics of the elliptical and modulated structures which are in good agreement with the neutron diffraction results. We find that the hyperfine field elliptical modulation persists as T goes to 0, which we attribute to an anisotropy of the hyperfine interaction since a moment modulation is forbidden at T=0 for a spin only ion like Fe3+.
324 - D. M. Liu , Q. Huang , M. Yue 2009
Neutron powder diffraction studies of the crystal and magnetic structures of the magnetocaloric compound Mn1.1Fe0.9(P0.8Ge0.2) have been carried out as a function of temperature, applied magnetic field, and pressure. The data reveal that there is onl y one transition observed over the entire range of variables explored, which is a combined magnetic and structural transformation between the paramagnetic to ferromagnetic phases (Tc~255 K for this composition). The structural part of the transition is associated with an expansion of the hexagonal unit cell in the direction of the a- and b-axes and a contraction of the c-axis as the FM phase is formed, which originates from an increase in the intra-layer metal-metal bond distance. The application of pressure is found to have an adverse effect on the formation of the FM phase since pressure opposes the expansion of the lattice and hence decreases Tc. The application of a magnetic field, on the other hand, has the expected effect of enhancing the FM phase and increasing Tc. We find that the substantial range of temperature/field/pressure coexistence of the PM and FM phases observed is due to compositional variations in the sample. In-situ high temperature diffraction measurements were carried out to explore this issue, and reveal a coexisting liquid phase at high temperatures that is the origin of this variation. We show that this range of coexisting phases can be substantially reduced by appropriate heat treatment to improve the sample homogeneity.
Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K. The composition with one Ni per trimer (x=1) has a monoclinic structu re (space group P 21 /a, no. 14) with the unit cell parameters a = 17.71 A, b = 4.89 A, c = 8.85 A and = 123.84 deg at T=290 K. The (x=2) composition crystallizes in the C 2/c space group (no. 15) with the doubled unit cell along c-axis. Each trimer is formed by two crystallographic positions: one in the middle and the second one at the ends of the trimer. We have found that the middle position is occupied by the Cu2+, whereas the end positions are equally populated with the Cu2+ and Ni2+ for (x=1) while in the (x=2) the trimers were found to be of only one type Ni-Cu-Ni. Below TN = 20 K the (x=2) compound shows an antiferromagnetic ordering with propagation vector star {[1/2,1/2, 0], [-1/2,1/2, 0]} The magnetic structure is very well described with the irreducible representation tau22 using both arms of the star {k} with the magnetic moments 1.89(1) muB and 0.62(2) muB for Ni2+ and Cu2+ ions, respectively. We note that our powder diffraction data cannot be fitted by a model containing only one arm of the propagation vector star. The Cu/Ni-spins form both parallel and antiparallel configurations in the different trimers, implying substantial effect of the inter-trimer interaction on the overall magnetic structure.
The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of the inversi on thermodynamics and electronic behaviour of LiMn$_2$O$_4$ derived from spin-polarised density functional theory calculations with a Hubbard Hamiltonian and long-range dispersion corrections (DFT+$U-$D3). Based on the analysis of the configurational free energy, we have elucidated a partially inverse equilibrium cation distribution for the LiMn$_2$O$_4$ spinel. This equilibrium degree of inversion is rationalised in terms of the crystal field stabilisation effects and the difference between the size of the cations. We compare the atomic charges with the oxidation numbers for each degree of inversion. We found segregation of the Mn charge once these ions occupy the tetrahedral and octahedral sites of the spinel. We have obtained the atomic projections of the electronic band structure and density of states, showing that the normal LiMn$_2$O$_4$ has half-metallic properties, while the fully inverse spinel is an insulator. This material is in the ferrimagnetic state for the inverse and partially inverse cation arrangement. The optimised lattice and oxygen parameters, as well as the equilibrium degree of inversion, are in agreement with the available experimental data. The partially inverse equilibrium degree of inversion is important in the interpretation of the lithium ion migration and surface properties of the LiMn$_2$O$_4$ spinel.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا