Computer modeling of luminescence in ABO3 perovskites

R. I. Eglitis; E. A. Kotomin; G. Borstel

doi:10.1557/proc-667-g1.8

Computer modeling of luminescence in ABO₃ perovskites

R. I. Eglitis^*
, E. A. Kotomin
, G. Borstel

^*Corresponding author for this work

Osnabrück University

Research output: Contribution to journal › Conference article › peer-review

4 Citations (Scopus)

Abstract

We suggest theoretical interpretation to a long-debated discussion on a nature of the intrinsic "green" luminescence observed in many ABO₃ perovskites. For this purpose we performed quantum chemical calculations using the Intermediate Neglect of the Differential Overlap combined with the Large Unit Cell periodic model. Triplet exciton which is very likely responsible for the "green" luminescence is shown to be in a good approximation a pair of nearest Jahn-Teller electron and hole polarons (a bipolaron).

Original language	English
Pages (from-to)	G181-G186
Journal	Materials Research Society Symposium - Proceedings
Volume	667
DOIs	https://doi.org/10.1557/proc-667-g1.8
Publication status	Published - 2001
Externally published	Yes
Event	Luminescent and Lumiescent Materials - San Francisco, CA, United States Duration: 17 Apr 2001 → 19 Apr 2001

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10.1557/proc-667-g1.8

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title = "Computer modeling of luminescence in ABO3 perovskites",

abstract = "We suggest theoretical interpretation to a long-debated discussion on a nature of the intrinsic {"}green{"} luminescence observed in many ABO3 perovskites. For this purpose we performed quantum chemical calculations using the Intermediate Neglect of the Differential Overlap combined with the Large Unit Cell periodic model. Triplet exciton which is very likely responsible for the {"}green{"} luminescence is shown to be in a good approximation a pair of nearest Jahn-Teller electron and hole polarons (a bipolaron).",

author = "Eglitis, \{R. I.\} and Kotomin, \{E. A.\} and G. Borstel",

year = "2001",

doi = "10.1557/proc-667-g1.8",

language = "English",

volume = "667",

pages = "G181--G186",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Luminescent and Lumiescent Materials ; Conference date: 17-04-2001 Through 19-04-2001",

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TY - JOUR

T1 - Computer modeling of luminescence in ABO3 perovskites

AU - Eglitis, R. I.

AU - Kotomin, E. A.

AU - Borstel, G.

PY - 2001

Y1 - 2001

N2 - We suggest theoretical interpretation to a long-debated discussion on a nature of the intrinsic "green" luminescence observed in many ABO3 perovskites. For this purpose we performed quantum chemical calculations using the Intermediate Neglect of the Differential Overlap combined with the Large Unit Cell periodic model. Triplet exciton which is very likely responsible for the "green" luminescence is shown to be in a good approximation a pair of nearest Jahn-Teller electron and hole polarons (a bipolaron).

AB - We suggest theoretical interpretation to a long-debated discussion on a nature of the intrinsic "green" luminescence observed in many ABO3 perovskites. For this purpose we performed quantum chemical calculations using the Intermediate Neglect of the Differential Overlap combined with the Large Unit Cell periodic model. Triplet exciton which is very likely responsible for the "green" luminescence is shown to be in a good approximation a pair of nearest Jahn-Teller electron and hole polarons (a bipolaron).

UR - https://www.scopus.com/pages/publications/0035744615

U2 - 10.1557/proc-667-g1.8

DO - 10.1557/proc-667-g1.8

M3 - Conference article

AN - SCOPUS:0035744615

SN - 0272-9172

VL - 667

SP - G181-G186

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Luminescent and Lumiescent Materials

Y2 - 17 April 2001 through 19 April 2001

ER -

Computer modeling of luminescence in ABO₃ perovskites

Abstract

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