scholarly journals Electron Localization in Mixed-Valence Manganites

1995 ◽  
Vol 75 (21) ◽  
pp. 3910-3913 ◽  
Author(s):  
J. M. D. Coey ◽  
M. Viret ◽  
L. Ranno ◽  
K. Ounadjela
Keyword(s):  
Mixed Valence ◽  
Electron Localization ◽  
Mixed Valence Manganites

A-Site Distribution in La1−xSrxMnO3: a Computational Study

2008 ◽  
Vol 1074 ◽  
Author(s):  
Yun Hee Jang ◽  
François Gervais ◽  
Yves Lansac
Keyword(s):  
Molecular Dynamics ◽  
Quantum Mechanics ◽  
Colossal Magnetoresistance ◽  
Computational Study ◽  
Mixed Valence ◽  
Magnetic Tunnel Junction ◽  
Md Simulations ◽  
Site Distribution ◽  
Mixed Valence Manganites ◽  
A Site

ABSTRACTThe possibility of an A-site (La3+/Sr2+) ordering in a colossal magnetoresistance manganite (CMR) La3/4Sr1/4MnO3 was explored using molecular dynamics (MD) simulations with a newly developed force field (FF) and quantum mechanics (QM) calculations on the structures obtained from MD. The calculated degrees of stabilization (enthalpy gain) of various patterns of A-site ordering are not significant enough to overcome the accompanying entropy loss, supporting the random A-site distribution in La3/4Sr1/4MnO3. This approach combining MD and QM as well as the versatile FF developed in this study should be useful to investigate the structures and functions of magnetic tunnel junction devices involving mixed-valence manganites.

Magnetic frustration in mixed valence manganites

1997 ◽  
Vol 55 (2) ◽  
pp. R668-R671 ◽  
Author(s):  
J. L. García-Muñoz ◽  
J. Fontcuberta ◽  
B. Martínez ◽  
A. Seffar ◽  
S. Piñol ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Magnetic Frustration ◽  
Mixed Valence Manganites

Through-Bond versus Through-Space Coupling in Mixed-Valence Molecules: Observation of Electron Localization at the Single-Molecule Scale

2012 ◽  
Vol 134 (3) ◽  
pp. 1710-1714 ◽  
Author(s):  
Rebecca C. Quardokus ◽  
Yuhui Lu ◽  
Natalie A. Wasio ◽  
Craig S. Lent ◽  
Frederic Justaud ◽  
...  
Keyword(s):  
Single Molecule ◽  
Mixed Valence ◽  
Electron Localization

Monte Carlo simulation of magnetoresistance in double exchange mixed valence manganites

2018 ◽  
Vol 11 (77) ◽  
pp. 3827-3839 ◽  
Author(s):  
H. H. Ortiz-Alvarez ◽  
E. Restrepo-Parra ◽  
F. N. Jimenez-Garcia
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Mixed Valence ◽  
Double Exchange ◽  
Mixed Valence Manganites

A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

2018 ◽  
Vol 20 (25) ◽  
pp. 16906-16909 ◽  
Author(s):  
Chun-Chih Chang ◽  
Elise Y. Li ◽  
Ming-Kang Tsai
Keyword(s):  
Copper Oxide ◽  
Mixed Valence ◽  
Co2 Reduction ◽  
Electron Localization Function ◽  
Oxide Surface ◽  
Electron Localization ◽  
Localization Function ◽  
Computational Exploration

The electron-localization function plots of OCCO adsorbed on Ov–CuO(111), Ov–Cu4O3(202) and Cu2O(111) surfaces.

Effect of disorder produced by cationic vacancies at theBsites on the electronic properties of mixed valence manganites

1999 ◽  
Vol 60 (2) ◽  
pp. 1127-1135 ◽  
Author(s):  
J. Vergara ◽  
R. J. Ortega-Hertogs ◽  
V. Madurga ◽  
F. Sapiña ◽  
Z. El-Fadli ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Mixed Valence ◽  
Effect Of Disorder ◽  
Mixed Valence Manganites

ChemInform Abstract: Mixed-Valence Manganites

ChemInform ◽  
2010 ◽  
Vol 41 (43) ◽  
pp. no-no
Author(s):  
J. M. D. Coey ◽  
M. Viret ◽  
S. von Molnar
Keyword(s):  
Mixed Valence ◽  
Mixed Valence Manganites
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