2011/09/14 by Lei Chen, Xun-Wang Yan, Chen, Lei +6
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #FOS: Physical sciences #High-pressure geophysics and materials #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Strongly Correlated Electrons (cond-mat.str-el) #Superconductivity (cond-mat.supr-con) #cond-mat.mtrl-sci #cond-mat.str-el #cond-mat.supr-con
paper · pdf · doi:10.48550/arxiv.1109.3049
4 pages and 6 figures
arxiv created 2011/09/14 · openalex publication_date 2011/09/14 · arxiv updated 2011/09/15 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We have studied the pressure effect on electronic structures and magnetic orders of ternary iron selenide K0.8Fe1.6Se2 by the first-principles electronic structure calculations. At low pressure, the compound is in the blocked checkerboard antiferromagnetic (AFM) semiconducting phase, as observed by the neutron scatting measurements. Applying pressure induces two phase transitions, first from the blocked checkerboard AFM semiconducting phase to a collinear AFM metallic phase around 12 GPa, and then to a non-magnetic metallic phase around 25 GPa, respectively. Our results help to clarify the recent experimental measurements under pressure.