Orbital ordering and quasi-two-dimensional magnetism in AMnF4 (A=K,Rb) : A first-principles study

Behatha, Anuroopa and Maitra, Tulika and Rudenko, Alexander N. and Kanchana, V. (2022) Orbital ordering and quasi-two-dimensional magnetism in AMnF4 (A=K,Rb) : A first-principles study. Physical Review B, 106 (2). pp. 1-10. ISSN 2469-9950

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Abstract

Strongly correlated systems with the interplay of electronic, charge, spin, and orbital degrees of freedom have, in recent times, received a surge of interest because of their rich physics, novel physical properties, and potential applications. In the present work, we study the structural, magnetic, and electronic properties and orbital ordering in layered perovskite-type AMnF4 (A=K,Rb) from first principles. A detailed analysis of the electronic properties in both compounds reveals an interesting nodal-line-like dispersion at ~0.4 eV below the Fermi level at the hinges of the Brillouin zone. Magnetic properties reflect the quasi-two-dimensional magnetism in these compounds, with very weak exchange interaction between the layers. Our results report the robust in-plane ferromagnetic spin order in AMnF4 (A=K, Rb) with the critical temperatures estimated to be around 30-60 K. We also find an anti-ferro-orbital ordering within the ab plane and a ferro-orbital ordering out of plane favoring the C-type orbital order in these compounds. © 2022 American Physical Society.

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IITH Creators:

IITH Creators	ORCiD
Kanchana, V.	UNSPECIFIED

Item Type:

Article

Additional Information:

A.B. and V.K. would like to thank IIT Hyderabad and CDAC for providing computational resources. T.M. would like to thank IIT Roorkee for computational facilities. A.B. wishes to express her gratitude to Prof. G. S. Vaitheeswaran (School of Physics, University of Hyderabad) for fruitful discussions. A.B. would like to acknowledge DST-INSPIRE for providing her with a fellowship. V.K. would like to thank CSIR for funding under Reference No. 03(1433)/18/EMR-II. The work by A.N.R. is supported by the European Research Council via Synergy Grant No. 854843 - FASTCORR.

Uncontrolled Keywords:

Electronic charges; Electronic orbitals; Electronic spins; First-principle study; Orbital degree of freedom; Orbital order; Physical potentials; Spin degrees of freedom; Strongly correlated systems; Two-dimensional

Subjects:

Physics

Divisions:

Department of Physics

Depositing User:

. LibTrainee 2021

Date Deposited:

16 Aug 2022 05:51

Last Modified:

16 Aug 2022 05:51

URI:

http://raiithold.iith.ac.in/id/eprint/10178