Crystal and Electronic Structure of FeSe at High Pressure and Low Temperature
- UNLV
We have investigated the high-pressure crystal and electronic structures of superconducting FeSe by high-resolution synchrotron powder X-ray diffraction and density functional theory (DFT) calculations at ambient and at low temperatures down to 8 K. Ambient nuclear resonant inelastic X-ray scattering (NRIXS) experiments were performed on FeSe to understand the partial phonon density of states (PDOS) of the high-pressure phases. On the basis of our experimental results and DFT calculations, we demonstrate a pressure-induced distortion of the low-temperature Cmma phase at around 1.6 GPa and the appearance of a high-pressure Pbnm phase. Upon increasing the pressure above 9 GPa, the orthorhombic phase becomes the major phase, and a mixed-phase region exists up to 26 GPa. The pressure-induced structural changes in this system and its connection to T{sub c} enhancement are discussed.
- Research Organization:
- Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1002795
- Journal Information:
- J. Phys. Chem. B, Journal Name: J. Phys. Chem. B Journal Issue: (39) ; 10, 2010 Vol. 114; ISSN 1520-6106; ISSN 1520-5207
- Country of Publication:
- United States
- Language:
- ENGLISH
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