Density Functional Analysis of the Magnetic Structure of Li3RuO4: Importance of the Ru–O···O–Ru Spin-Exchange Interactions and Substitutional Ru Defects at the Li Sites

2011 ◽  
Vol 50 (19) ◽  
pp. 9400-9405 ◽  
Author(s):  
Won-Joon Son ◽  
Pascal Manuel ◽  
Devashibhai Adroja ◽  
Myung-Hwan Whangbo
Keyword(s):  
Functional Analysis ◽  
Magnetic Structure ◽  
Density Functional ◽  
Spin Exchange ◽  
Exchange Interactions

Density-functional analysis of spin exchange and ferroelectric polarization inAgCrO2

2009 ◽  
Vol 80 (10) ◽  
Author(s):  
E. J. Kan ◽  
H. J. Xiang ◽  
Y. Zhang ◽  
C. Lee ◽  
M.-H. Whangbo
Keyword(s):  
Functional Analysis ◽  
Density Functional ◽  
Spin Exchange ◽  
Ferroelectric Polarization

Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr2

2012 ◽  
Vol 86 (6) ◽  
Author(s):  
C. Lee ◽  
Jia Liu ◽  
M.-H. Whangbo ◽  
H.-J. Koo ◽  
R. K. Kremer ◽  
...  
Keyword(s):  
High Temperature ◽  
Magnetic Structure ◽  
Spin Exchange ◽  
Exchange Interactions

scholarly journals Quasi-1D XY antiferromagnet Sr2Ni(SeO3)2Cl2 at Sakai-Takahashi phase diagram

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
E. S. Kozlyakova ◽  
A. V. Moskin ◽  
P. S. Berdonosov ◽  
V. V. Gapontsev ◽  
S. V. Streltsov ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Long Range ◽  
Density Functional ◽  
Uniaxial Anisotropy ◽  
Exchange Interactions ◽  
Spin Liquid ◽  
Functional Theory ◽  
One Dimensional ◽  
Ordered Phases ◽  
Experimental Findings

AbstractUniform quasi-one-dimensional integer spin compounds are of interest as a potential realization of the Haldane conjecture of a gapped spin liquid. This phase, however, has to compete with magnetic anisotropy and long-range ordered phases, the implementation of which depends on the ratio of interchain J′ and intrachain J exchange interactions and both uniaxial D and rhombic E single-ion anisotropies. Strontium nickel selenite chloride, Sr2Ni(SeO3)2Cl2, is a spin-1 chain system which passes through a correlations regime at Tmax ~ 12 K to long-range order at TN = 6 K. Under external magnetic field it experiences the sequence of spin-flop at Bc1 = 9.0 T and spin-flip transitions Bc2 = 23.7 T prior to full saturation at Bsat = 31.0 T. Density functional theory provides values of the main exchange interactions and uniaxial anisotropy which corroborate the experimental findings. The values of J′/J = 0.083 and D/J = 0.357 place this compound into a hitherto unoccupied sector of the Sakai-Takahashi phase diagram.

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