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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >High-Pressure Studies of Bi_2S_3
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High-Pressure Studies of Bi_2S_3

机译：Bi_2S_3的高压研究

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The high-pressure structural and vibrational properties of Bi_2S_3 have been probed up to 65 GPa with a combination of experimental and theoretical methods. The ambient-pressure Pnma structure is found to persist up to 50 GPa; further compression leads to structural disorder. Closer inspection of our structural and Raman spectroscopic results reveals notable compressibility changes in specific structural parameters of the Pnma phase beyond 4?6 GPa. By taking the available literature into account, we speculate that a second-order isostructural transition is realized near that pressure, originating probably from a topological modification of the Bi_2S_3 electronic structure near that pressure. Finally, the Bi~(3+) loneelectron pair (LEP) stereochemical activity decreases against pressure increase; an utter vanishing, however, is not expected until 1 Mbar. This persistence of the Bi~(3+) LEP activity in Bi_2S_3 can explain the absence of any structural transitions toward higher crystalline symmetries in the investigated pressure range.
机译：结合实验和理论方法，研究了Bi_2S_3的高压结构和振动特性，最高可达65 GPa。发现环境压力Pnma结构持续高达50 GPa;进一步压缩会导致结构紊乱。仔细观察我们的结构和拉曼光谱结果，发现Pnma相的特定结构参数在4？6 GPa以上的压缩率发生了显着变化。通过考虑可用的文献，我们推测在该压力附近实现了二阶同构转变，这可能是由于Bi_2S_3电子结构在该压力附近的拓扑变化引起的。最后，Bi〜（3+）孤电子对（LEP）的立体化学活性随着压力的增加而降低;但是，直到1 Mbar才有望完全消失。 Bi_2S_3中Bi〜（3+）LEP活性的这种持久性可以解释在所研究的压力范围内不存在朝向更高晶体对称性的任何结构转变。

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