Crystal Structure of High-Pressure Phases V and VI of Potassium Dihydrogen Phosphate
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概要
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Potassium dihydrogen phosphate KH2PO4 is the most typical hydrogen-bonded ferroelectric. The P--T phase diagram and the existence of high-pressure phases V and VI have already been reported. However, their crystal structures remain unknown. We performed a powder x-ray diffraction experiment under high pressure using synchrotron radiation and analyzed the structures from the obtained data. The structures of phases V and VI were determined to be orthorhombic C222_{1} and triclinic P\bar{1}. Their hydrogen positions were predicted by a density functional theory calculation.
- 2012-06-15
著者
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Shimizu Katsuya
Kyokugen Center For Quantum Science And Technology Under Extreme Conditions Osaka University
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Nakamoto Yuki
Kyokugen Center For Quantum Science And Technology Under Extreme Conditions Osaka University
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FUJIHISA Hiroshi
National Institute of Materials and Chemical Research
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Deguchi Kiyoshi
Shizuoka Inst. Of Sci. And Technol. Shizuoka
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Deguchi Kiyoshi
Shizuoka Institute of Science and Technology, Fukuroi, Shizuoka 437-8555, Japan
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Nakamoto Yuki
KYOKUGEN, Center for Quantum Science and Technology Under Extreme Conditions, Osaka University, Toyonaka, Osaka 560-8531, Japan
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SAKATA Masafumi
KYOKUGEN, Center for Quantum Science and Technology Under Extreme Conditions, Osaka University, Toyonaka, Osaka 560-8531, Japan
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Fujihisa Hiroshi
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Ibaraki 305-8565, Japan
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