ChemInform Abstract: Geometrical Spin Frustration of Unusually High Valence Fe5+ in the Double Perovskite La2 LiFeO6 .

ChemInform ◽  
2016 ◽  
Vol 47 (34) ◽  
Author(s):  
Peng Xiong ◽  
Hayato Seki ◽  
Haichuan Guo ◽  
Yoshiteru Hosaka ◽  
Takashi Saito ◽  
...  
2019 ◽  
Vol 99 (10) ◽  
Author(s):  
R. P. Madhogaria ◽  
R. Das ◽  
E. M. Clements ◽  
V. Kalappattil ◽  
M. H. Phan ◽  
...  

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
J. Khatua ◽  
T. Arh ◽  
Shashi B. Mishra ◽  
H. Luetkens ◽  
A. Zorko ◽  
...  

AbstractFrustrated magnets based on oxide double perovskites offer a viable ground wherein competing magnetic interactions, macroscopic ground state degeneracy and complex interplay between emergent degrees of freedom can lead to correlated quantum phenomena with exotic excitations highly relevant for potential technological applications. By local-probe muon spin relaxation ($$\mu$$ μ SR) and complementary thermodynamic measurements accompanied by first-principles calculations, we here demonstrate novel electronic structure and magnetic phases of Ba$$_{2}$$ 2 MnTeO$$_{6}$$ 6 , where Mn$$^{2+}$$ 2 + ions with S = 5/2 spins constitute a perfect triangular lattice. Magnetization results evidence the presence of strong antiferromagnetic interactions between Mn$$^{2+}$$ 2 + spins and a phase transition at $$T_{N}$$ T N = 20 K. Below $$T_{N}$$ T N , the specific heat data show antiferromagnetic magnon excitations with a gap of 1.4 K, which is due to magnetic anisotropy. $$\mu$$ μ SR reveals the presence of static internal fields in the ordered state and short-range spin correlations high above $$T_{N}$$ T N . It further unveils critical slowing-down of spin dynamics at $$T_{N}$$ T N and the persistence of spin dynamics even in the magnetically ordered state. Theoretical studies infer that Heisenberg interactions govern the inter- and intra-layer spin-frustration in this compound. Our results establish that the combined effect of a weak third-nearest-neighbour ferromagnetic inter-layer interaction (owing to double-exchange) and intra-layer interactions stabilizes a three-dimensional magnetic ordering in this frustrated magnet.


2021 ◽  
Vol 103 (2) ◽  
Author(s):  
Paresh C. Rout ◽  
Udo Schwingenschlögl

Author(s):  
Kohdai Ishida ◽  
Cédric Tassel ◽  
Daichi Watabe ◽  
Hiroshi Takatsu ◽  
Craig M. Brown ◽  
...  

2016 ◽  
Vol 55 (12) ◽  
pp. 6218-6222 ◽  
Author(s):  
Peng Xiong ◽  
Hayato Seki ◽  
Haichuan Guo ◽  
Yoshiteru Hosaka ◽  
Takashi Saito ◽  
...  

2014 ◽  
Vol 70 (a1) ◽  
pp. C981-C981
Author(s):  
Yuichi Shimakawa

Cation ordering in transition-metal oxides often drastically modifies their properties. We focus on A-and-B-site-ordered quadruple perovskite-structure oxides AA'3B2B'2O12, in which transition-metal ions are included at the A', B, and B' sites in an ordered manner. In such compounds A'-A', A'-B, A'-B', and B-B' interactions compete with each other and play important role in giving rise to unusual properties. The A-and-B-site-ordered quadruple perovskite CaCu3Fe2Sb2O12with magnetic Fe3+at the B site and nonmagnetic Sb5+at the B' site was successfully synthesized under a high-pressure and high-temperature condition. The B-site Fe3+spin sublattice adapts a tetrahedral framework and the Fe3+-Fe3+antiferromagnetic interaction causes geometrical spin frustration as seen in the double perovskite Ca2FeSbO6. With the introduction of Cu2+into the A' site, the frustration is relieved by strong antiferromagnetic A'(Cu2+)-B(Fe3+) interaction, leading to a ferrimagnetic ordering below 160 K. When B'-site Sb5+was replaced with Re5+, another A-and-B-site-ordered quadruple perovskite CaCu3Fe2Re2O12was synthesized by a high-pressure technique. The compound contains magnetic Fe3+at the B site and Re5+at the B' sites, and strong antiferromagnetic A'(Cu2+)-B'(Re5+) interaction overcomes the A'(Cu2+)-B(Fe3+) interaction, leading to a ferrimagnetism with the ferromagnetic A'(Cu2+)-B(Fe3+) spin arrangement below 550 K. More importantly, the electronic structure of CaCu3Fe2Re2O12is half metallic and the compound shows large magnetoresistance by the spin-dependent transport.


2019 ◽  
Author(s):  
Madhumita Rano ◽  
Sumanta K Ghosh ◽  
Debashree Ghosh

<div>Combining the roles of spin frustration and geometry of odd and even numbered rings in polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small singlet-triplet gaps and stable triplet ground states. Furthermore, a computationally efficient protocol with a model spin Hamiltonian is shown to be capable of qualitative agreement with respect to high level multireference calculations and therefore, can be used for fast molecular discovery and screening.</div>


2018 ◽  
Author(s):  
Julian Steele ◽  
Masoumeh Keshavarz ◽  
Elke Debroye ◽  
Haifeng Yuan ◽  
Johan Hofkens ◽  
...  

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