Volume 123, Number 5, September 2018
|Number of page(s)||5|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||05 October 2018|
Magnetic frustration in double perovskite LaSrNiRuO6
1 Science and Technology on Reliability and Environmental Engineering Laboratory, Beijing Institute of Spacecraft Environment Engineering - Beijing 100094, China
2 Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University - Shanghai 200433, China
3 Lab MICS, CNRS UMR 8579, CentraleSupélec, Université Paris-Saclay - 8-10 rue Joliot-Curie, Gif-sur-Yvette, 91190, France
4 CNR-SPIN, c/o Dipartimento di Scienze Fisiche e Chimiche - Via Vetoio, 67010 Coppito (AQ), Italy
5 School of Materials Science and Engineering, Xiangtan University - Xiangtan 411105, China
6 Collaborative Innovation Center of Advanced Microstructures - Nanjing 210093, China
Received: 3 August 2018
Accepted: 12 September 2018
Using density functional calculations, we investigated the electronic structure and magnetism of the newly synthesized antiferromagnetic (AF) double perovskite LaSrNiRuO6. Our results show that the first nearest-neighbouring (1NN) and ions have a ferromagnetic (FM) coupling. However, we find that LaSrNiRuO6 displays long-range magnetic interactions: the second nearest-neighbouring (2NN) Ru-Ru AF coupling and the 2NN Ni-Ni AF coupling are both stronger than the 1NN Ni-Ru FM coupling, and the third nearest-neighbouring (3NN) Ru-Ru and Ni-Ni AF couplings are also considerably large. Thus, the leading Ru-Ru and Ni-Ni AF interactions in the face-centered-cubic (fcc) sublattices give rise to a magnetic frustration, and eventually determine a distorted low-temperature AF order. This work addresses the importance of long-range magnetic interactions in determining the exotic magnetic structure of double perovskites.
PACS: 71.20.-b – Electron density of states and band structure of crystalline solids / 75.25.Dk – Orbital, charge, and other orders, including coupling of these orders / 71.70.-d – Level splitting and interactions
© EPLA, 2018
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