Cross-type orbital ordering in the layered hybrid organic-inorganic compound (C6H5CH2CH2NH3)2CuCl4

2016 ◽  
Vol 94 (18) ◽  
Author(s):  
A. A. Nugroho ◽  
Z. Hu ◽  
C. Y. Kuo ◽  
M. W. Haverkort ◽  
T. W. Pi ◽  
...  
Keyword(s):  
Inorganic Compound ◽  
Orbital Ordering ◽  
Type Orbital ◽  
Cross Type

Crystallographic Features of the C-Type Orbital-Ordered, and Charge- and Orbital-Ordered States in the Simple Perovskite Manganite Ca1-xLaxMnO3

2012 ◽  
Vol 706-709 ◽  
pp. 1612-1617
Author(s):  
Yasuhide Inoue ◽  
Masazumi Arao ◽  
Daisuke Shiga ◽  
Yasumasa Koyama
Keyword(s):  
Three Dimensional ◽  
Electronic System ◽  
Lattice System ◽  
Perovskite Manganite ◽  
Orbital Ordering ◽  
Transverse Lattice ◽  
Type Orbital ◽  
Antiferromagnetic Ordering ◽  
Monoclinic Distortion ◽  
Highly Correlated

The C-type orbital-ordered (CTOO), and charge-and orbital-ordered (COO) states are present in the simple perovskite manganite Ca1-xLaxMnO3, which has a three-dimensional highly-correlated electronic system. In this study, the crystallographic features of the CTOO and COO states have been investigated mainly by transmission electron microscopy to understand responses of a lattice system to these orderings. Of these two states, the cooling from the disordered orthorhombic Pnma (DO) state around x = 0.20 resulted in the CTOO state with the monoclinic P21/m symmetry. As a result of the monoclinic distortion as a response of the lattice system, the CTOO state consisted of a banded structure that was characterized by an alternating array of two monoclinic domains with different β values. In 0.30 < x < 0.50, on the other hand, the appearance of the COO state from the DO state on cooling accompanied a transverse lattice modulation with q = []DO as a response to orbital ordering in the COO state. The subsequent cooling in the COO state led to the antiferromagnetic ordering with a large lattice dilatation. In other words, no change in the crystal symmetry occurs in the appearance of the antiferromagnetic ordering.

Resonant X-ray scattering study of perovskite-type vanadate RVO3

2010 ◽  
Vol 1 (SRMS-7) ◽  
Author(s):  
H. Nakao ◽  
D. Bizen ◽  
N. Shirane ◽  
K. Ikeuchi ◽  
Y. Murakami ◽  
...  
Keyword(s):  
Azimuthal Angle ◽  
Vanadium Oxides ◽  
Orbital Ordering ◽  
Orbital Order ◽  
X Ray ◽  
Type Orbital ◽  
X Ray Scattering ◽  
Scattering Study ◽  
Perovskite Type ◽  
Ray Scattering

The orbital ordering in perovskite-type vanadium oxides, RVO3 (R: rare earth), has been investigated by resonant X-ray scattering (RXS) near the V K-edge energy. The G-type orbital order, C-type orbital order and orbital disorder phases are elucidated on the basis of the azimuthal-angle and polarization dependence of the RXS signal reflecting the orbital ordering.

scholarly journals Hole dispersions in theG- andC-type orbital ordering backgrounds: Doped manganese oxides

2000 ◽  
Vol 62 (6) ◽  
pp. 3869-3874 ◽  
Author(s):  
Xiao-Juan Fan ◽  
Shun-Qing Shen ◽  
Z. D. Wang ◽  
X.-G. Li ◽  
Qiang-Hua Wang
Keyword(s):  
Manganese Oxides ◽  
Orbital Ordering ◽  
Type Orbital

Er L3-edge resonant elastic X-ray scattering study of orbital ordering in ErVO3

2011 ◽  
Vol 1 (SRMS-7) ◽  
Author(s):  
K. Ikeuchi ◽  
H. Nakao ◽  
Y. Murakami ◽  
S. Miyasaka ◽  
Y. Tokura
Keyword(s):  
Absorption Edge ◽  
Orbital Ordering ◽  
X Ray ◽  
Type Orbital ◽  
X Ray Scattering ◽  
Scattering Study ◽  
Ray Scattering

Resonant elastic X-ray scattering (RXS) at the erbium absorption edge was investigated in the orbital-ordered compound ErVO3. An RXS signal resonating near the Er L3-edge was clearly observed at (1 0 0). Using this signal, we studied the relation between the anisotropy of the Er 5d orbital and the V 3d orbital ordering because the covalency between the Er 5d and V 3d orbitals is expected to stabilize the C-type orbital ordering of the V 3d electrons.

Crystallographic features of orbital ordering related to the C-type antiferromagnetic state in the simple perovskite manganite Ca1-xPrxMnO3

MRS Advances ◽  
2016 ◽  
Vol 1 (9) ◽  
pp. 579-584 ◽  
Author(s):  
Kentaro Kojima ◽  
Yasuhide Inoue ◽  
Yasumasa Koyama
Keyword(s):  
State Formation ◽  
Powder Diffraction ◽  
Electronic System ◽  
Perovskite Manganites ◽  
Perovskite Manganite ◽  
Orbital Ordering ◽  
X Ray ◽  
Notable Feature ◽  
Type Orbital ◽  
Antiferromagnetic Ordering

ABSTRACTIn the highly-correlated electronic system Ca1-xPrxMnO3 having the simple perovskite structure, it has been reported that there exists the C-type orbital-ordered (COO) state accompanying an antiferromagnetic ordering for 0.10 ≤ x ≤ 0.25. According to the previous studies concerning orbital-ordered states in simple perovskite manganites, the COO state was understood to be characterized by a spatial array of (3z2-r2)-type orbitals for 3d electrons in Mn ions. The notable feature of the COO state in Ca1-xPrxMnO3 is that the state with the monoclinic-P21/m symmetry appears as a result of the structural transition from the disordered state with the orthorhombic-Pnma symmetry. Compared with the COO-state formation from the cubic-Pm$\overline 3$m state, however, the formation from the disordered-Pnma state has not been understood yet. We have thus examined the crystallographic features of the formation of the COO state in Ca1-xPrxMnO3, mainly by x-ray powder diffraction and transmission electron microscopy. In the case of x = 0.16, for instance, the COO state was found to appear from the disordered-Pnma state around 90 K on cooling. The notable feature of the formation is that, in the Pnma state just before the COO-state formation, characteristic diffuse scattering appeared around each reflection in electron diffraction patterns, together with the splitting of the 200c reflection in x-ray powder diffraction profiles in the pseudo-cubic notation. Based on these experimental data, it is understood that the formation of the COO state in Ca1-xPrxMnO3 accompanies remarkable fluctuations of the C-type orbital ordering in the disordered-Pnma state.

Formation of the C-type Orbital-Ordered State in the Simple Perovskite Manganite Sr1-xSmxMnO3

MRS Advances ◽  
2016 ◽  
Vol 1 (9) ◽  
pp. 615-620 ◽  
Author(s):  
Misato Yamagata ◽  
Ayumi Shiratani ◽  
Yasuhide Inoue ◽  
Yasumasa Koyama
Keyword(s):  
Electronic System ◽  
The State ◽  
Tetragonal Symmetry ◽  
Perovskite Manganite ◽  
Orbital Ordering ◽  
Teller Distortion ◽  
Rotational Displacement ◽  
Type Orbital ◽  
Jahn Teller ◽  
Jahn Teller Distortion

ABSTRACTThe simple perovskite manganite Sr1-xSmxMnO3 (SSMO) has been reported to have a highly-correlated electronic system for eg-electrons in a Mn ion. According to the previous studies, the C-type orbital-ordered (COO) state with the I4/mcm symmetry was found to be formed from the disordered-cubic (DC) state on cooling. The feature of the COO state is that its crystal structure involves both the Jahn-Teller distortion to orbital ordering and the R25-type rotational displacement of oxygen octahedra. Because of the involvement of both the distortion and the displacement, their competition should be expected in the formation of the COO state. However, the detailed features of the competition have not been understood yet. Thus, the crystallographic features of the COO state in SSMO have been examined by x-ray powder diffraction and transmission electron microscopy. It was found that, when the Sm content increased from x = 0 at room temperature, the DC state changed into the COO state with the tetragonal symmetry around x = 0.13. The notable feature of the COO state is that the state is characterized by a nanometer-scaled banded structure consisting of an alternating array of two tetragonal bands. One tetragonal band consisted of the COO state involving both the Jahn-Teller distortion and the R25-type rotational displacement. But, there was only the latter displacement in the other, the state of which could be identified as a disordered tetragonal (DT) state. Based on this, it is understood that the COO-state formation from the DC state should take place via the appearance of the DT state, which may involve fluctuations of the C-type orbital ordering.

Features of the intermediate state appearing between the C- and A-type orbital-ordered states in the highly-correlated electronic system Sr1-xNdxMnO3

MRS Advances ◽  
2016 ◽  
Vol 1 (9) ◽  
pp. 603-608 ◽  
Author(s):  
Ayumi Shiratani ◽  
Hiroki Sato ◽  
Yasuhide Inoue ◽  
Yasumasa Koyama
Keyword(s):  
Electronic System ◽  
Oxide System ◽  
The State ◽  
State Change ◽  
Orbital Ordering ◽  
Type Orbital ◽  
Transmission Electron ◽  
Displacement Pattern ◽  
Highly Correlated ◽  
Image Position

ABSTRACTThe presence of the C- and A-type orbital-ordered states has been reported in the highly-correlated electronic system Sr1-xNdxMnO3 (SNMO). The interesting feature of the oxide system is that an increase in the Nd content leads to the (C-type → A-type) state change across a temperature-independent morphotropic phase boundary (MPB). Although structural fluctuations can be expected near the MPB, the detailed features of the state change have not been understood sufficiently. Thus, the crystallographic features of the state change in SNMO with 0.35 ≤ x ≤ 0.49 have been investigated mainly at 300 K, by x-ray powder diffraction and transmission electron microscopy. It was found that the C-type orbital-ordered state with the tetragonal-I4/mcm symmetry and the disordered orthorhombic-Imma state were present for 0.35 ≤ x ≤ 0.43 and for 0.45 ≤ x ≤ 0.49 at 300 K, respectively. The notable feature of the state change is that disordered regions with the cubic-Pm$\bar 3$ m symmetry were also found locally for x = 0.43, in addition to the C-type state. Because the rotational-displacement pattern for oxygen octahedra involved in the disordered-Imma state is the same as that in the A-type state, furthermore, the former disordered state may be regarded as a precursor state to the A-type orbital ordering.

Modeling of a sensitive element on a planar mushroom-shaped metamaterial for non-destructive testing and searching for inhomogeneities in technological media

2020 ◽  
pp. 54-59
Author(s):  
A. A. Yelizarov ◽  
A. A. Skuridin ◽  
E. A. Zakirova
Keyword(s):  
Sensitive Element ◽  
Non Destructive Testing ◽  
Destructive Testing ◽  
Resonant Frequency Shift ◽  
Maltese Cross ◽  
Informative Parameters ◽  
Non Destructive ◽  
Cross Type ◽  
Electrodynamic Structure ◽  
Electrophysical Parameters

A computer model and the results of a numerical experiment for a sensitive element on a planar mushroom-shaped metamaterial with cells of the “Maltese cross” type are presented. The proposed electrodynamic structure is shown to be applicable for nondestructive testing of geometric and electrophysical parameters of technological media, as well as searching for inhomogeneities in them. Resonant frequency shift and change of the attenuation coefficient value of the structure serve as informative parameters.

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

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