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CaSnO、SrSnO和ZnSnO的高压行为

High-Pressure Behavior of CaSnO, SrSnO, and ZnSnO.

作者信息

Anzellini Simone, Diaz-Anichtchenko Daniel, Sanchez-Martin Josu, Turnbull Robin, Radescu Silvana, Mujica Andres, Muñoz Alfonso, Ferrari Sergio, Pampillo Laura, Bilovol Vitaliy, Popescu Catalin, Errandonea Daniel

机构信息

Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, Carrer del Dr. Moliner 50, 46100 Burjassot, Valencia, Spain.

Departamento de Física, MALTA-Consolider Team, Instituto de Materiales y Nanotecnología, Universidad de La Laguna, San Cristóbal de La Laguna, E-38200 Tenerife, Spain.

出版信息

J Phys Chem C Nanomater Interfaces. 2024 Jan 12;128(3):1357-1367. doi: 10.1021/acs.jpcc.3c06726. eCollection 2024 Jan 25.

DOI:10.1021/acs.jpcc.3c06726
PMID:38293689
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10823467/
Abstract

The pressure-induced structural evolution of CaSnO, SrSnO, and ZnSnO has been characterized by powder X-ray diffraction up to 20 GPa using the ALBA synchrotron radiation source and density functional theory calculations. No phase transition was observed in CaSnO and ZnSnO in the investigated pressure range. The observation in ZnSnO solves contradictions existing in the literature. In contrast, a phase transition was observed in SrSnO at a pressure of 9.09 GPa. The transition was characterized as from the ambient-condition tetragonal polymorph (space group 4/) to the low-temperature tetragonal polymorph (space group 4/). The linear compressibility of crystallographic axes and room-temperature pressure-volume equation of state are reported for the three compounds studied. Calculated elastic constants and moduli are also reported as well as a systematic discussion of the high-pressure behavior and bulk modulus of MSnO stannates.

摘要

利用阿尔巴同步辐射源，通过粉末X射线衍射对CaSnO、SrSnO和ZnSnO在高达20吉帕压力下的压力诱导结构演变进行了表征，并进行了密度泛函理论计算。在研究的压力范围内，CaSnO和ZnSnO未观察到相变。在ZnSnO中的这一观察结果解决了文献中存在的矛盾。相比之下，在9.09吉帕的压力下，SrSnO中观察到了相变。该转变被表征为从常压四方多晶型（空间群4/）转变为低温四方多晶型（空间群4/）。报道了所研究的三种化合物的晶体轴线性压缩率和室温压力-体积状态方程。还报道了计算得到的弹性常数和模量，以及对MSnO锡酸盐高压行为和体积模量的系统讨论。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4919/10823467/9aa05224c4d6/jp3c06726_0012.jpg
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