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Pressure- and temperature-induced structural phase transitions of CaFe<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>As<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>and BaFe<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" …
With the proposed Hund's rule correlation picture, i.e. the fluctuating Fe local moments with the As-bridged antiferromagnetic superexchange interactions, the exceptional collapsed tetragonal phase and related phase transitions observed in CaFe$_2$As$_2$ are well understood. With the same framework, a pressure-temperature phase diagram is predicted for BaFe$_2$As$_2$ as well, in which …