التفاصيل البيبلوغرافية
| العنوان: |
High-pressure and high-temperature modulation of one-dimensional infinite chain in SeO2. |
| المؤلفون: |
Lu, Wencheng, Liu, Siyu, Cai, Jinqun, Ning, Ping, Ma, Chuanheng, Liu, Guangtao, Wang, Hongbo, Guo, Qing, Zhou, Mi, Wang, Yanchao, Ma, Yanming |
| المصدر: |
Applied Physics Letters; 4/1/2024, Vol. 124 Issue 14, p1-7, 7p |
| مصطلحات موضوعية: |
PHASE transitions, SWARM intelligence, DIAMOND anvil cell, PHASE diagrams, SELENIUM dioxide, SYNCHROTRONS |
| مستخلص: |
The structural evolution of lone-pair compounds under high-pressure and high-temperature conditions has been a subject of fundamental interest in revealing modulated polymorphs. As one of the archetypal lone-pair compounds, selenium dioxide (SeO2) has attracted much attention due to the pressure modulation of its one-dimensional infinite W-shaped chain arrangement. Here, through swarm intelligence algorithm in conjunction with the first-principles simulation, we propose the existence of an orthorhombic Pnma-SeO2 structure, characterized by V-shaped chains interconnected via vertex-sharing SeO3 pyramids. These V-shaped chains demonstrate reduced compressibility along their chain direction compared to the W-shaped chains. Calculations indicate that Pnma-SeO2 is a semiconductor with a large indirect bandgap of 2.39 eV. Remarkably, we synthesized the predicted Pnma-SeO2 in a laser-heated diamond anvil cell at a pressure of 48.5 or 87 GPa as identified by in situ synchrotron x-ray diffraction data. Our findings lead to a significant extension of the phase diagram and transition path of SeO2 and provide key insights into understanding the pressure modulation in lone-pair compounds. [ABSTRACT FROM AUTHOR] |
|
Copyright of Applied Physics Letters is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| قاعدة البيانات: |
Complementary Index |
Find this article in full text from Scitation.