Determination of effective microscopic models for the frustrated antiferromagnets Cs<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>CuCl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and Cs<mml:math xmlns:mml="http://www.w3.org/1998/Math/…
Abstract
We investigate the electronic and magnetic properties of the frustrated triangular-lattice antiferromagnets Cs{}_{2}uCl{}_{4}and Cs{}_{2}uBr{}_{4}in the framework of density functional theory. Analysis of the exchange couplings Jand {J}^{\ensuremath{'}}using the available x-ray structural data corroborates the values obtained from experimental results for Cs{}_{2}uBr{}_{4}but not for Cs{}_{2}uCl{}_{4} In order to...
Paper Details
Title
Determination of effective microscopic models for the frustrated antiferromagnets Cs<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>CuCl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow /><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and Cs<mml:math xmlns:mml="http://www.w3.org/1998/Math/…
Published Date
Mar 31, 2011
Journal
Volume
83
Issue
12
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