Orbital Ordering and Vibronic States in Manganese Perovskites

Author(s):  
J.-S. Zhou ◽  
J. B. Goodenough
2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio

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


2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio

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


2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Haibiao Zhou ◽  
Qiyuan Feng ◽  
Yubin Hou ◽  
Masao Nakamura ◽  
Yoshinori Tokura ◽  
...  

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.


2006 ◽  
Vol 74 (6) ◽  
Author(s):  
V. Scagnoli ◽  
U. Staub ◽  
A. M. Mulders ◽  
M. Janousch ◽  
G. I. Meijer ◽  
...  

2005 ◽  
Vol 86 (11) ◽  
pp. 112513 ◽  
Author(s):  
Yasushi Ogimoto ◽  
Naoko Takubo ◽  
Masao Nakamura ◽  
Hiroharu Tamaru ◽  
Makoto Izumi ◽  
...  

2007 ◽  
Vol 80 (3) ◽  
pp. 37003 ◽  
Author(s):  
C. Aruta ◽  
G. Balestrino ◽  
A. Tebano ◽  
G. Ghiringhelli ◽  
N. B. Brookes

2001 ◽  
Vol 105 (26) ◽  
pp. 6369-6377 ◽  
Author(s):  
Matthias Hartmann ◽  
Albrecht Lindinger ◽  
J. Peter Toennies ◽  
Andrej F. Vilesov

1999 ◽  
Vol 60 (4) ◽  
pp. 2425-2428 ◽  
Author(s):  
K. Nakamura ◽  
T. Arima ◽  
A. Nakazawa ◽  
Y. Wakabayashi ◽  
Y. Murakami

2000 ◽  
Vol 62 (9) ◽  
pp. 5829-5833 ◽  
Author(s):  
Shun-Qing Shen ◽  
R. Y. Gu ◽  
Qiang-Hua Wang ◽  
Z. D. Wang ◽  
X. C. Xie
Keyword(s):  

2007 ◽  
Vol 75 (8) ◽  
Author(s):  
S. Grenier ◽  
V. Kiryukhin ◽  
S-W. Cheong ◽  
B. G. Kim ◽  
J. P. Hill ◽  
...  

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