DOI: 10.1557/proc-667-g1.8. Computer Modeling of Luminescence in ABO<sub>3</sub> Perovskites

Computer Modeling of Luminescence in ABO3 Perovskites

10.1557/proc-667-g1.8

Crossref journal-article

Springer Science and Business Media LLC

MRS Proceedings (297)

Abstract

ABSTRACTWe 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).

Bibliography

Eglitis, R. I., Kotomin, E. A., & Borstel, G. (2001). Computer Modeling of Luminescence in ABO3 Perovskites. MRS Proceedings, 667.

Authors 3

R. I. Eglitis (first)
E. A. Kotomin (additional)
G. Borstel (additional)

References 31 Referenced 1

{'key': 'S1946427400636278_ref019', 'first-page': '4255', 'volume': '6', 'author': 'Stefanovich', 'year': '1994', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Stefanovich (1994)
10.1103/PhysRevB.51.8770
10.1002/pssb.2221600214
10.1080/00150199408016583
2. Vikhnin V.S. , Eglitis R.I. , Kotomin E.A. , Kapphan S.E. , and Borstel G. , in: Proc. Williamsburg workshop on Fundamental Physics of Ferroelectrics, AIP, 2000, in press.
{'key': 'S1946427400636278_ref027', 'first-page': '6271', 'volume': '10', 'author': 'Eglitis', 'year': '1998', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Eglitis (1998)
11. Williams R.T. , Ucer K.B. , Xiong G. , Yochum H.M. , Grigorjeva L. , Millers D. , and Corradi G. , Rad. Eff.& Def. in Sol., (2000), in press
{'key': 'S1946427400636278_ref024', 'first-page': 'L315', 'volume': '9', 'author': 'Kotomin', 'year': '1997', 'journal-title': 'J. Phys.: Condens. Matter.'} / J. Phys.: Condens. Matter. by Kotomin (1997)
10.1103/PhysRevB.60.1
{'key': 'S1946427400636278_ref026', 'first-page': 'L431', 'volume': '12', 'author': 'Eglitis', 'year': '2000', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Eglitis (2000)
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10.1016/S0168-583X(99)00762-4
{'key': 'S1946427400636278_ref006', 'first-page': '109', 'volume': '83–84', 'author': 'Vikhnin', 'year': '1999', 'journal-title': 'J.Lum.'} / J.Lum. by Vikhnin (1999)
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3. Pankratov V. , Grigorjeva L. , Millers D.K. , Corradi G. , and Polgar K. , Ferroelectrics, 2000, in press
L. Grigorjeva, D.K. Millers, A.I. Popov, E.A. Kotomin, and E.S. Polzik, J. Lum. 72-74, 672-676 (1997). (10.1016/S0022-2313(97)00032-X)
10.1103/PhysRevB.42.9664
10.1023/A:1007731316635
{'key': 'S1946427400636278_ref028', 'first-page': '469', 'volume': 'B93', 'author': 'Evarestov', 'year': '1977', 'journal-title': 'Phys. Stat. Sol.'} / Phys. Stat. Sol. by Evarestov (1977)
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{'key': 'S1946427400636278_ref012', 'volume-title': 'Approximate Molecular Orbital Theory', 'author': 'Pople', 'year': '1970'} / Approximate Molecular Orbital Theory by Pople (1970)
10.1016/S0168-583X(99)00668-0

Dates

Type	When
Created	14 years, 4 months ago (April 5, 2011, 10:17 a.m.)
Deposited	4 years, 6 months ago (Feb. 24, 2021, 4:48 p.m.)
Indexed	3 years, 4 months ago (March 31, 2022, 6:52 p.m.)
Issued	24 years, 7 months ago (Jan. 1, 2001)
Published	24 years, 7 months ago (Jan. 1, 2001)
Published Online	14 years, 5 months ago (March 21, 2011)
Published Print	24 years, 7 months ago (Jan. 1, 2001)

Funders 0

None

BibTeX

@article{Eglitis_2001, title={Computer Modeling of Luminescence in ABO3 Perovskites}, volume={667}, ISSN={1946-4274}, url={http://dx.doi.org/10.1557/proc-667-g1.8}, DOI={10.1557/proc-667-g1.8}, journal={MRS Proceedings}, publisher={Springer Science and Business Media LLC}, author={Eglitis, R. I. and Kotomin, E. A. and Borstel, G.}, year={2001} }

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