First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions

C. A. Marianetti; D. Morgan; G. Ceder

doi:10.1103/physrevb.63.224304

First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions

Physical Review B ◽

10.1103/physrevb.63.224304 ◽

2001 ◽

Vol 63 (22) ◽

Cited By ~ 58

Author(s):

C. A. Marianetti ◽

D. Morgan ◽

G. Ceder

Keyword(s):

Transition Metal ◽

Metal Ions ◽

First Principles ◽

Transition Metal Ions ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect

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Jahn-Teller Effect on Transition Metal Ions in Silver Halides II. Cr2+(3d4)

physica status solidi (b) ◽

10.1002/pssb.2220510111 ◽

1972 ◽

Vol 51 (1) ◽

pp. 123-128 ◽

Cited By ~ 6

Author(s):

H. D. Koswig ◽

U. Retter ◽

W. Ulrici

Keyword(s):

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Teller Effect ◽

Silver Halides ◽

Jahn Teller ◽

Jahn Teller Effect

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Jahn-Teller effect in transition metal ions: a parametrization method based on the angular overlap model

Chemical Physics ◽

10.1016/0301-0104(79)85136-8 ◽

1979 ◽

Vol 40 (1-2) ◽

pp. 237-244 ◽

Cited By ~ 63

Author(s):

M. Bacci

Keyword(s):

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Teller Effect ◽

Angular Overlap Model ◽

Parametrization Method ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Overlap Model

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Dynamical Jahn-Teller Effect on the Fine Structure Lines of Transition Metal Ions (Abstract Only)

Luminescence of Inorganic Solids ◽

10.1007/978-1-4684-3375-3_24 ◽

1978 ◽

pp. 683-683

Author(s):

R. Parrot

Keyword(s):

Fine Structure ◽

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Fine Structure Lines

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Jahn-Teller Effect on Transition Metal Ions in Silver Halides III. Interpretation

physica status solidi (b) ◽

10.1002/pssb.2220510112 ◽

1972 ◽

Vol 51 (1) ◽

pp. 129-138 ◽

Cited By ~ 5

Author(s):

W. Ulrici

Keyword(s):

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Teller Effect ◽

Silver Halides ◽

Jahn Teller ◽

Jahn Teller Effect

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Calculation of Jahn-Teller Coupling Constants of 3d Transition Metal Ions in Crystals. II. RbMnF3

physica status solidi (b) ◽

10.1002/pssb.2220980129 ◽

1980 ◽

Vol 98 (1) ◽

pp. 289-296 ◽

Cited By ~ 13

Author(s):

A. E. Nikiforov ◽

S. Yu. Shashkin ◽

A. I. Krotkii

Keyword(s):

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Coupling Constants ◽

Jahn Teller

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Jahn-Teller effect in the phonon properties of defective SrTiO3from first principles

Physical Review B ◽

10.1103/physrevb.85.174303 ◽

2012 ◽

Vol 85 (17) ◽

Cited By ~ 39

Author(s):

Robert Evarestov ◽

Evgeny Blokhin ◽

Denis Gryaznov ◽

Eugene A. Kotomin ◽

Rotraut Merkle ◽

...

Keyword(s):

First Principles ◽

Teller Effect ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Phonon Properties

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Systematic First-Principles Calculations of Charge Transfer Transitions of Transition Metal Ions (Sc3+, Ti3+, V3+, Cr3+, Mn3+, Fe3+) in α-Al2O3 with Structural Optimization

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/835/1/012005 ◽

2020 ◽

Vol 835 ◽

pp. 012005

Author(s):

Shota Takemura ◽

Mega Novita ◽

Kazuyoshi Ogasawara

Keyword(s):

Charge Transfer ◽

Transition Metal ◽

Structural Optimization ◽

Metal Ions ◽

First Principles ◽

Transition Metal Ions ◽

First Principles Calculations ◽

Charge Transfer Transitions ◽

Α Al2o3

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Proton-Induced Disproportionation of Jahn–Teller-Active Transition-Metal Ions in Oxides Due to Electronically Driven Lattice Instability

Journal of the American Chemical Society ◽

10.1021/jacs.0c10044 ◽

2020 ◽

Vol 142 (50) ◽

pp. 21122-21130

Author(s):

Hooman Yaghoobnejad Asl ◽

Arumugam Manthiram

Keyword(s):

Transition Metal ◽

Metal Ions ◽

Transition Metal Ions ◽

Lattice Instability ◽

Jahn Teller ◽

Active Transition

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Calculation of Jahn-Teller Coupling Constants of 3d Transition metal Ions in Crystals. I. General Theory

physica status solidi (b) ◽

10.1002/pssb.2220970212 ◽

1980 ◽

Vol 97 (2) ◽

pp. 475-479 ◽

Cited By ~ 16

Author(s):

A. E. Nikiforov ◽

S. Yu. Shashkin ◽

A. I. Krotkii

Keyword(s):

Transition Metal ◽

General Theory ◽

Metal Ions ◽

Transition Metal Ions ◽

Coupling Constants ◽

Jahn Teller

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Theory of the Cooperative Jahn–Teller Effect for the Antiferroorbital Ordering in Transition-Metal Compounds

Journal of the Physical Society of Japan ◽

10.1143/jpsjs.71s.172 ◽

2002 ◽

Vol 71 (Suppl) ◽

pp. 172-174 ◽

Cited By ~ 1

Author(s):

Mitsuo Kataoka

Keyword(s):

Transition Metal ◽

Transition Metal Compounds ◽

Teller Effect ◽

Metal Compounds ◽

Jahn Teller ◽

Jahn Teller Effect

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