Pressure-induced structural change of liquid InAs and the systematics of liquid III-V compounds
- Synchrotron Radiation Research Center, Japan Atomic Energy Agency, Kouto, Sayo, Hyogo 679-5148 (Japan)
To understand the pressure-induced structural changes of liquid III-V compounds systematically, the pressure dependence of l-InAs was investigated using the synchrotron x-ray diffraction and an ab initio molecular-dynamics simulation (AIMD). The x-ray diffraction experiments revealed that the liquid changes its compression behavior from a nearly uniform type to a nonuniform one around 9 GPa. Corresponding to this change, the coordination number (China), which is maintained up to 9 GPa, markedly increases from 6.0 to 7.5. The AIMD simulation revealed that this change is related to the change in the pressure dependence of all three pair correlations. In particular, a marked change is observed in the As-As correlation; in the low-pressure region, the position of the first peak in g{sub AsAs}(r), r{sub AsAs}, increases while maintaining the CN{sub AsAs}, but in the high-pressure region, the r{sub AsAs} stops increasing and the CN{sub AsAs} begins to increase. The AIMD simulation also revealed that each partial structure of l-InAs is similar to that for the pure-element liquid with the same valence electron number. Upon compression, each partial structure approaches the respective one for a heavier element in the same group. These findings suggest that the structures of liquid compounds are locally controlled by the number of the valence electrons in each ion pair and that the change in each partial structure obeys the empirical rule that the high-pressure state resembles the ambient state of a heavier element in the same group. Comparing the pressure-induced structural change of l-InAs to those of other liquid III-V compounds (GaSb and InSb) has revealed that, although the high-pressure behaviors of these three liquids are apparently different, their structural changes are systematically understood by a common structural sequence. This systematics originates from the same effect on each partial structure between increasing the atomic number and the pressurization.
- OSTI ID:
- 21052715
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 76, Issue 14; Other Information: DOI: 10.1103/PhysRevB.76.144206; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
AUGMENTATION
ELECTRONS
GALLIUM ANTIMONIDES
INDIUM ANTIMONIDES
INDIUM ARSENIDES
ION PAIRS
LIQUIDS
MOLECULAR DYNAMICS METHOD
PRESSURE DEPENDENCE
PRESSURE RANGE GIGA PA
PRESSURE RANGE MEGA PA 10-100
SEMICONDUCTOR MATERIALS
SIMULATION
SYNCHROTRONS
VALENCE
X-RAY DIFFRACTION