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Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3. / NOVOSELOV, D.; Korotin, Dm. M.; ANISIMOV, V.I.
In: Письма в Журнал экспериментальной и теоретической физики, Vol. 103, No. 9-10, 2016, p. 653-656.

Research output: Contribution to journal › Article › peer-review

Harvard

NOVOSELOV, D, Korotin, DM & ANISIMOV, VI 2016, 'Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3', Письма в Журнал экспериментальной и теоретической физики, vol. 103, no. 9-10, pp. 653-656.

APA

NOVOSELOV, D., Korotin, D. M., & ANISIMOV, V. I. (2016). Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3. Письма в Журнал экспериментальной и теоретической физики, 103(9-10), 653-656.

Vancouver

NOVOSELOV D, Korotin DM, ANISIMOV VI. Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3. Письма в Журнал экспериментальной и теоретической физики. 2016;103(9-10):653-656.

Author

NOVOSELOV, D. ; Korotin, Dm. M. ; ANISIMOV, V.I. / Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3. In: Письма в Журнал экспериментальной и теоретической физики. 2016 ; Vol. 103, No. 9-10. pp. 653-656.

BibTeX

@article{6a5accc650e34c3c90b7b240cfa6cda3,
title = "Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3",
abstract = "We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF3. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real paramagnetic KCrF3 were performed within an approach combining density functional theory and dynamical mean field theory (DFT+DMFT). As a result, it was found that the experimentally observed cooperative Jahn-Teller effect is successfully described in a lattice relaxation calculation for structure without any long-range magnetic ordering. It is established that the existence of the orbital ordering even in undistorted perovskite structure clearly confirms the electronic origin of the orbital ordering in KCrF3.",
author = "D. NOVOSELOV and Korotin, {Dm. M.} and V.I. ANISIMOV",
year = "2016",
language = "English",
volume = "103",
pages = "653--656",
journal = "Письма в Журнал экспериментальной и теоретической физики",
issn = "0370-274X",
publisher = "Издательство {"}Наука{"}",
number = "9-10",

}

RIS

TY - JOUR

T1 - Correlations induced orbital ordering and cooperative Jahn-Teller distortion in the paramagnetic insulator KCrF3

AU - NOVOSELOV, D.

AU - Korotin, Dm. M.

AU - ANISIMOV, V.I.

PY - 2016

Y1 - 2016

N2 - We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF3. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real paramagnetic KCrF3 were performed within an approach combining density functional theory and dynamical mean field theory (DFT+DMFT). As a result, it was found that the experimentally observed cooperative Jahn-Teller effect is successfully described in a lattice relaxation calculation for structure without any long-range magnetic ordering. It is established that the existence of the orbital ordering even in undistorted perovskite structure clearly confirms the electronic origin of the orbital ordering in KCrF3.

AB - We investigate the origin of the orbital ordering in the paramagnetic phase of KCrF3. All previous studies described structural parameters of the paramagnetic phase using a magnetic ordering in the compound. Our simulations of real paramagnetic KCrF3 were performed within an approach combining density functional theory and dynamical mean field theory (DFT+DMFT). As a result, it was found that the experimentally observed cooperative Jahn-Teller effect is successfully described in a lattice relaxation calculation for structure without any long-range magnetic ordering. It is established that the existence of the orbital ordering even in undistorted perovskite structure clearly confirms the electronic origin of the orbital ordering in KCrF3.

UR - http://elibrary.ru/item.asp?id=26254033

M3 - Article

VL - 103

SP - 653

EP - 656

JO - Письма в Журнал экспериментальной и теоретической физики

JF - Письма в Журнал экспериментальной и теоретической физики

SN - 0370-274X

IS - 9-10

ER -

ID: 1281653