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Pressure effects on iron-based superconductors; A First-principles study

Nakamura, Hiroki  ; Machida, Masahiko  

We investigate pressure effects on an iron-based superconductor LaFeAsO using first-principle calculations. As the pressure increases, we find a structural transition from the orthorhombic to the tetragonal crystal with a disappearance of the antiferromagnetically ordered magnetic moment at 24 GPa in agreement with an experimental observation. Moreover, the calculations reveal that the structural transition is almost the second-order phase transition.

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Category:Physics, Applied

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