27 research outputs found
Long range magnetic ordering in a spin-chain compound, CaCuMnO, with multiple bond distances
The results of ac and dc magnetization and heat capacity measurements as a
function of temperature (T = 1.8 to 300 K) are reported for a
quasi-one-dimensional compound, CaCuMnO, crystallizing in a
triclinically distorted KCdCl-type structure. The results reveal that
this compound undergoes antiferromagnetic ordering close to 5.5 K. In addition,
there is another magnetic transition below 3.6 K. Existence of two long-range
magnetic transitions is uncommon among quasi-one-dimensional systems. It is
interesting to note that both the magnetic transitions are of long-range type,
instead of spin-glass type, in spite of the fact that the Cu-O and Mn-O bond
distances are multiplied due to this crystallographic distortion. In view of
this, this compound could serve as a nice example for studying
"order-in-disorder" phenomena.Comment: Physical Review (in press
Structural, electronic, and magneto-optical properties of YVO
Optical and magneto-optical properties of YVO single crystal were studied
in FIR, visible, and UV regions. Two structural phase transitions at 75 K and
200 K were observed and established to be of the first and second order,
respectively. The lattice has an orthorhombic symmetry both above 200 K
as well as below 75 K, and is found to be dimerized monoclinic in
between. We identify YVO as a Mott-Hubbard insulator with the optical gap
of 1.6 eV. The electronic excitations in the visible spectrum are determined by
three -bands at 1.8, 2.4, and 3.3 eV, followed by the charge-transfer
transitions at about 4 eV. The observed structure is in good agreement with
LSDA+ band structure calculations. By using ligand field considerations, we
assigned these bands to the transitions to the , , and states. The strong temperature dependence of these
bands is in agreement with the formation of orbital order. Despite the small
net magnetic moment of 0.01 per vanadium, the Kerr effect of the order
of was observed for all three -bands in the magnetically
ordered phase . A surprisingly strong enhancement of
the Kerr effect was found below 75 K, reaching a maximum of . The
effect is ascribed to the non-vanishing net orbital magnetic moment.Comment: Submitted to Phys. Rev.
Modeling of complex oxide materials from the first principles: systematic applications to vanadates RVO3 with distorted perovskite structure
"Realistic modeling" is a new direction of electronic structure calculations,
where the main emphasis is made on the construction of some effective
low-energy model entirely within a first-principle framework. Ideally, it is a
model in form, but with all the parameters derived rigorously, on the basis of
first-principles electronic structure calculations. The method is especially
suit for transition-metal oxides and other strongly correlated systems, whose
electronic and magnetic properties are predetermined by the behavior of some
limited number of states located near the Fermi level. After reviewing general
ideas of realistic modeling, we will illustrate abilities of this approach on
the wide series of vanadates RVO3 (R= La, Ce, Pr, Nd, Sm, Gd, Tb, Yb, and Y)
with distorted perovskite structure. Particular attention will be paid to
computational tools, which can be used for microscopic analysis of different
spin and orbital states in the partially filled t2g-band. We will explicitly
show how the lifting of the orbital degeneracy by the monoclinic distortion
stabilizes C-type antiferromagnetic (AFM) state, which can be further
transformed to the G-type AFM state by changing the crystal distortion from
monoclinic to orthorhombic one. Two microscopic mechanisms of such a
stabilization, associated with the one-electron crystal field and electron
correlation interactions, are discussed. The flexibility of the orbital degrees
of freedom is analyzed in terms of the magnetic-state dependence of interatomic
magnetic interactions.Comment: 23 pages, 13 figure
Investigations of the magnetic, mechanical and thermodynamic properties of cubic phase LaMO 3
Crystal structure of the group of optical materials <tex>Ln_{2}MeGe_{4}O_{12}$</tex> (Me = Ca, Mn)
Crystal structure and magnetic properties of complex oxides <tex>Mg_{4-x}Ni_{x}O_{9}</tex>
Corrigendum to ‘’Tetrel, halogen and hydrogen bonds in bis(4-((E)-(2,2-dichloro-1-(4-substitutedphenyl)vinyl)diazenyl)phenyl)methane dyes’’[Dyes Pigments 150 (2018) 377–381] (S0143720817323343) (10.1016/j.dyepig.2017.12.033))
Correction to Tetrel, halogen and hydrogen bonds in bis(4-((E)-(2,2-dichloro-1-(4- substitutedphenyl)vinyl)diazenyl)phenyl)methane dyes, Namiq Q. Shikhaliyev, etc. Dyes and Pigments 150 (2018) 377–381. https://doi.org/10.1016/j.dyepig.2017.12.033. In title and along text ‘’tetrel” should be ‘’pnicogen” Kamran T. Mahmudov apologises for these errors and any consequent inconvenience to authors and readers. © 201