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High pressure monoclinic phases of Sb _2Te ~3

机译:Sb _2Te〜3的高压单斜相

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The effect of pressure on nanostructured rhombohedral α-Sb _2Te ~3 (phase I) was investigated using X-ray diffraction (XRD) and Raman spectroscopy (RS) up to 19.2 and 25.5 GPa, respectively. XRD patterns showed two new high pressure phases (named phases II and III). From a Rietveld refinement of XRD patterns of α-Sb _2Te ~3, the unit cell volume as a function of pressure was obtained and the values were fitted to a Birch-Murnaghan equation of state (BM-EOS). The best fit was obtained for bulk modulus B _0=36.1±0.9 GPa and its derivative B _0=6.2±0.4 (not fixed). Using the refined structural data for α-Sb _2Te ~3, for pressures up to 9.8 GPa, changes in the angle of succession [Te-Sb-Te-Sb-Te], in the interaromic distances of Sb and Te atoms belonging to this angle of succession and in the interatomic distances of atoms located on the c axis were examined. This analysis revealed an electronic topological transition (ETT) along the a and c axes at close to 3.7 GPa. From the RS spectra, the full widths at half maximum (FWHM) of the Raman active modes of α-Sb _2Te ~3 were plotted as functions of pressure and showed an ETT along the a and c axes at close to 3.2 GPa. The XRD patterns of phases II and III were well reproduced assuming β-Bi 2Te 3 and γ-Bi 2Te 3 structures similar to those reported in the literature for α-Bi 2Te 3.
机译:利用X射线衍射(XRD)和拉曼光谱(RS)分别研究了压力对纳米结构菱形α-Sb_2Te〜3(I相)的影响,分别达到了19.2和25.5 GPa。 XRD图谱显示了两个新的高压相(分别称为II和III相)。通过α-Sb_2Te〜3的XRD图的Rietveld细化,获得了单位细胞体积随压力的变化,并将其值拟合到Birch-Murnaghan状态方程(BM-EOS)。对于体积模量B _0 = 36.1±0.9 GPa及其导数B _0 = 6.2±0.4(未固定),获得了最佳拟合。使用针对α-Sb_2Te〜3的精确结构数据,对于高达9.8 GPa的压力,在属于该元素的Sb和Te原子的原子间距离中,继承角[Te-Sb-Te-Sb-Te]的变化检查了连续角和位于c轴上的原子的原子间距离。该分析表明,沿a和c轴的电子拓扑转变(ETT)接近3.7 GPa。从RS光谱中,绘制了α-Sb_2Te〜3拉曼活性模式的半峰全宽(FWHM)作为压力的函数,并显示了沿a和c轴的ETT接近3.2 GPa。假设β-Bi2Te 3和γ-Bi2Te 3的结构与文献中关于α-Bi2Te 3的结构相似,则II和III相的XRD图谱得到了很好的再现。

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