TY - JOUR
T1 - Structural study of FeP2 at high pressure
AU - Wu, X.
AU - Kanzaki, M.
AU - Qin, S.
AU - Steinle-Neumann, G.
AU - Dubrovinsky, L.
N1 - Funding Information:
The authors would like to thank A. Kurnosov for his assistance in Raman and XRD experiments. X. Wu is grateful for his Alexander von Humboldt Fellowship. S. Qin acknowledges the financial support of the National Natural Science Foundation of China (Grant no. 40672024).
PY - 2009/6
Y1 - 2009/6
N2 - The structural stability of marcasite-type FeP2 at high pressure has been studied by X-ray diffraction, Raman spectroscopy, and theoretical calculations. Experimental results show that no phase transitions happen up to 28GPa at room temperature. The shortest axis of the marcasite-type FeP 2 cell, the c-axis, is the most compressible, due to the softening of edge-shared octahedra along the c-axis. The linear pressure coefficients and Gruneisen parameters of four Raman modes are determined. Theoretical calculations further support the experimental results and indicate that FeP2 is still a semiconductor up to 35GPa.
AB - The structural stability of marcasite-type FeP2 at high pressure has been studied by X-ray diffraction, Raman spectroscopy, and theoretical calculations. Experimental results show that no phase transitions happen up to 28GPa at room temperature. The shortest axis of the marcasite-type FeP 2 cell, the c-axis, is the most compressible, due to the softening of edge-shared octahedra along the c-axis. The linear pressure coefficients and Gruneisen parameters of four Raman modes are determined. Theoretical calculations further support the experimental results and indicate that FeP2 is still a semiconductor up to 35GPa.
KW - High pressure
KW - Marcasite-type structure
KW - Theoretical calculations
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U2 - 10.1080/08957950802597221
DO - 10.1080/08957950802597221
M3 - Article
AN - SCOPUS:74549131635
SN - 0895-7959
VL - 29
SP - 235
EP - 244
JO - High Pressure Research
JF - High Pressure Research
IS - 2
ER -