Crystal Structure of High-Pressure Phases V and VI of Potassium Dihydrogen Phosphate

被引：2

作者：

Nakamoto, Yuki ^{[1
]}

Sakata, Masafumi ^{[1
]}

Fujihisa, Hiroshi ^{[2
]}

Shimizu, Katsuya ^{[1
]}

Deguchi, Kiyoshi ^{[3
]}

机构：

[1] Osaka Univ, KYOKUGEN, Ctr Quantum Sci & Technol Extreme Condit, Toyonaka, Osaka 5608531, Japan

[2] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan

[3] Shizuoka Inst Sci & Technol, Shizuoka 4378555, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2012年 / 81卷 / 06期

关键词：

ferroelectrics; high pressure; x-ray diffraction; crystal structure; KH2PO4; TEMPERATURE; TRANSITIONS; KD2PO4;

D O I：

10.1143/JPSJ.81.064706

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 (1) over bar1. Their hydrogen positions were predicted by a density functional theory calculation.

引用

页数：5

共 17 条

[1] PHASE-TRANSITIONS IN KH2PO4 AND RBH2PO4 TO 14-GPA OBSERVED BY CAPACITANCE CHANGE IN A DIAMOND ANVIL CELL [J].