Journal
PHYSICAL REVIEW LETTERS
Volume 104, Issue 5, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.104.057003
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Funding
- NRF of Korea [2009-0081204]
- KISTI Supercomputing Center [KSC-2008-S02-0004]
- National Research Foundation of Korea [2009-0081204] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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Magnetic properties of iron chalcogenide superconducting materials are investigated using density-functional calculations. We find that the stability of magnetic phases is very sensitive to the height of chalcogen species from the Fe plane: while FeTe with optimized Te height has the double-stripe (pi, 0) magnetic ordering, the single-stripe (pi, pi) ordering becomes the ground state when Te is lowered below a critical height by, e. g., Se doping. This behavior is understood by opposite Te-height dependences of the superexchange interaction and a longer range magnetic interaction mediated by itinerant electrons. We also demonstrate a linear temperature dependence of the macroscopic magnetic susceptibility in the single-stripe phase in contrast with the constant behavior in the double-stripe phase. Our findings provide a comprehensive and unified view on the magnetism in FeSexTe1-x and iron pnictide superconductors.
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