Density Functional Analysis of the Spin Exchange Interactions and Charge Order Patterns in the Layered Magnetic Oxides YBaM2O5(M = Mn, Fe, Co)

2011 ◽  
Vol 50 (21) ◽  
pp. 10643-10647 ◽  
Author(s):  
Yuemei Zhang ◽  
Myung-Hwan Whangbo
Keyword(s):  
Functional Analysis ◽  
Density Functional ◽  
Spin Exchange ◽  
Exchange Interactions ◽  
Charge Order ◽  
Magnetic Oxides

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

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.

Sign in / Sign up

Export Citation Format

Share Document