Pressure-induced phase transition in CsGeBr3 studied by X-ray diffraction and Raman spectroscopy
Pressure-induced phase transition in CsGeBr3 studied by X-ray diffraction and Raman spectroscopy
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通过 X 射线衍射和拉曼光谱研究 CsGeBr3 中压力诱导的相变
DOI：
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发表时间：
1995
期刊：
影响因子：
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通讯作者：
G. Thiele
中科院分区：
文献类型：
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作者：
U. Schwarz;H. Hillebrecht;M. Kaupp;K. Syassen;H. Schnering;G. Thiele
摘要 通过X射线衍射和拉曼光谱研究了静水压力对CsGeBr3结构性质的影响。使用金刚石砧室产生压力。在 1.0(2) GPa 下，CsGeBr3 的三角环境压力改性经历可逆的一级相变，形成立方钙钛矿结构中的高压多晶型物结晶。 Ge-Br 键长的变化是通过低压和高压修改的单晶结构细化获得的。相变发生在相对体积 V/V0 = 0.92 时，Hartree-Fock 计算的预测与实验结果一致。
Abstract We have investigated the effect of hydrostatic pressure on the structural properties of CsGeBr3 by means of X-ray diffraction and Raman spectroscopy. Pressures were generated using diamond anvil cells. At 1.0(2) GPa the trigonal ambient pressure modification of CsGeBr3 undergoes a reversible first-order phase transition to a high-pressure polymorph crystallizing in the cubic perovskite structure. The variation in Ge-Br bond length is obtained from single-crystal structure refinements of both the low- and the high-pressure modifications. The phase transformation occurs at a relative volume of V/V0 = 0.92, and the prediction from Hartree-Fock calculations is in agreement with this experimental result.