Orbital ordering and spin-singlet formation in a pyroxene compound NaTiSi2O6

2006 ◽  
Vol 378-380 ◽  
pp. 1056-1057 ◽  
Author(s):  
T. Shirakawa ◽  
Y. Ohta ◽  
T. Mizokawa
Keyword(s):  
Orbital Ordering ◽  
Spin Singlet

scholarly journals Orbital ordering and spin-singlet clusters in triangular-based vanadates

2012 ◽  
Vol 400 (3) ◽  
pp. 032085
Author(s):  
Yasuhiro Shimizu ◽  
Kenichiro Matsudaira ◽  
Masayuki Itoh ◽  
Takamasa Kajita ◽  
Miho Ikeda ◽  
...  
Keyword(s):  
Orbital Ordering ◽  
Spin Singlet

Possible Orbital Ordering in a Spin-Singlet Ground State:V51NMR and NQR study ofBaVS3

1997 ◽  
Vol 79 (19) ◽  
pp. 3779-3782 ◽  
Author(s):  
Hiroyuki Nakamura ◽  
Hideto Imai ◽  
Masayuki Shiga
Keyword(s):  
Orbital Ordering ◽  
Spin Singlet

ANALYSIS OF PROXIMITY EFFECTS BETWEEN SPIN SINGLET AND SPIN TRIPLET SUPERCONDUCTORS

1978 ◽  
Vol 39 (C6) ◽  
pp. C6-481-C6-483 ◽  
Author(s):  
K. Scharnberg ◽  
D. Fay ◽  
N. Schopohl
Keyword(s):  
Proximity Effects ◽  
Spin Singlet ◽  
Spin Triplet

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

scholarly journals Imaging the formation and surface phase separation of the CE phase

2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Haibiao Zhou ◽  
Qiyuan Feng ◽  
Yubin Hou ◽  
Masao Nakamura ◽  
Yoshinori Tokura ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Phase Transitions ◽  
Charge Ordering ◽  
Zero Magnetic Field ◽  
Ferromagnetic Phase ◽  
Emergent Properties ◽  
Orbital Ordering ◽  
Strong Electron ◽  
Antiferromagnetic Correlation ◽  
Ordering Transitions

AbstractThe CE phase is an extraordinary phase exhibiting the simultaneous spin, charge, and orbital ordering due to strong electron correlation. It is an ideal platform to investigate the role of the multiple orderings in the phase transitions and discover emergent properties. Here, we use a cryogenic high-field magnetic force microscope to image the phase transitions and properties of the CE phase in a Pr0.5Ca0.5MnO3 thin film. In a high magnetic field, we observed a clear suppression of magnetic susceptibility at the charge-ordering insulator transition temperature (TCOI), whereas, at the Néel temperature (TN), no significant change is observed. This observation favors the scenario of strong antiferromagnetic correlation developed below TCOI but raises questions about the Zener polaron paramagnetic phase picture. Besides, we discoverd a phase-separated surface state in the CE phase regime. Ferromagnetic phase domains residing at the surface already exist in zero magnetic field and show ultra-high magnetic anisotropy. Our results provide microscopic insights into the unconventional spin- and charge-ordering transitions and revealed essential attributes of the CE phase, highlighting unusual behaviors when multiple electronic orderings are involved.

scholarly journals Multiorbital singlet pairing and d + d superconductivity

2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Emilian M. Nica ◽  
Qimiao Si
Keyword(s):  
Time Reversal ◽  
Heavy Fermion ◽  
Degrees Of Freedom ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Matrix Structure ◽  
Spin Singlet ◽  
Low Energies ◽  
Triplet Pairing ◽  
Orbital Space

AbstractRecent experiments in multiband Fe-based and heavy-fermion superconductors have challenged the long-held dichotomy between simple s- and d-wave spin-singlet pairing states. Here, we advance several time-reversal-invariant irreducible pairings that go beyond the standard singlet functions through a matrix structure in the band/orbital space, and elucidate their naturalness in multiband systems. We consider the sτ3 multiorbital superconducting state for Fe-chalcogenide superconductors. This state, corresponding to a d + d intra- and inter-band pairing, is shown to contrast with the more familiar d + id state in a way analogous to how the B- triplet pairing phase of 3He superfluid differs from its A- phase counterpart. In addition, we construct an analog of the sτ3 pairing for the heavy-fermion superconductor CeCu2Si2, using degrees-of-freedom that incorporate spin-orbit coupling. Our results lead to the proposition that d-wave superconductors in correlated multiband systems will generically have a fully-gapped Fermi surface when they are examined at sufficiently low energies.

Erratum: Role of magnetic and orbital ordering at the metal-insulator transition inNdNiO3[Phys. Rev. B73, 100409(R) (2006)]

2006 ◽  
Vol 74 (6) ◽  
Author(s):  
V. Scagnoli ◽  
U. Staub ◽  
A. M. Mulders ◽  
M. Janousch ◽  
G. I. Meijer ◽  
...  
Keyword(s):  
Insulator Transition ◽  
Orbital Ordering ◽  
Metal Insulator Transition ◽  
Metal Insulator

Spin-Singlet Ground State in Two-Dimensional S=1/2 Frustrated Square Lattice: (CuCl)LaNb2O7

2005 ◽  
Vol 74 (6) ◽  
pp. 1702-1705 ◽  
Author(s):  
H. Kageyama ◽  
T. Kitano ◽  
N. Oba ◽  
M. Nishi ◽  
S. Nagai ◽  
...  
Keyword(s):  
Ground State ◽  
Square Lattice ◽  
Singlet Ground State ◽  
Two Dimensional ◽  
Spin Singlet

Pseudomorphic strain effect on the charge-orbital ordering pattern in Pr0.5Sr0.5MnO3 epitaxial thin films

2005 ◽  
Vol 86 (11) ◽  
pp. 112513 ◽  
Author(s):  
Yasushi Ogimoto ◽  
Naoko Takubo ◽  
Masao Nakamura ◽  
Hiroharu Tamaru ◽  
Makoto Izumi ◽  
...  
Keyword(s):  
Thin Films ◽  
Strain Effect ◽  
Epitaxial Thin Films ◽  
Orbital Ordering
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