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Strontium ferrite under pressure: Potential analog to strontium ruthenate
Physical Review B ( IF 3.7 ) Pub Date : 2024-04-24 , DOI: 10.1103/physrevb.109.165146
Azin Kazemi-Moridani , Sophie Beck , Alexander Hampel , A.-M. S. Tremblay , Michel Côté , Olivier Gingras

As an alternative platform to unravel some of the perplexing characteristics of strontium ruthenate, we propose to study the isostructural and more correlated material strontium ferrite. Using density functional theory combined with dynamical mean-field theory, we attribute the experimentally observed insulating behavior at zero pressure to strong local electronic correlations generated by Mott and Hund's physics. At high pressure, our simulations reproduce the reported insulator-to-metal transition around 18 GPa. Along with distinctive features of a Hund metal, the resulting metallic state is found to display an electronic structure analogous to that of strontium ruthenate, suggesting that it could exhibit similar low-energy properties.

中文翻译:

加压下的锶铁氧体:钌酸锶的潜在类似物

作为解开钌酸锶一些令人困惑的特性的替代平台,我们建议研究同结构和更相关的材料锶铁氧体。利用密度泛函理论与动态平均场理论相结合,我们将零压力下实验观察到的绝缘行为归因于莫特和洪德物理学产生的强局域电子相关性。在高压下,我们的模拟重现了所报道的 18 GPa 左右的绝缘体到金属的转变。除了亨德金属的独特特征外,所产生的金属态还显示出与钌酸锶类似的电子结构,这表明它可能表现出类似的低能特性。
更新日期:2024-04-24
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