氧化-的压力依赖性物理性质:一项全面的研究
Abu Bakar1, Muhammad Salman Kiani2, Rab Nawaz3
1Centre of Excellence in Solid State Physics, University of the Punjab Lahore-54000 Pakistan abubakar.phd.cssp@pu.edu.pk.
RSC advances
|October 12, 2023
概括
高压增强了 CsNbO3 的作用.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
背景情况:
- 矿对于存储器和自旋电子设备至关重要.
- 压力下的矿氧化物的热电特性尚未得到充分探索.
研究的目的:
- 研究高压对CsNbO3矿氧化物的影响.
- 分析结构,电子,机械,光学和热电性能.
主要方法:
- 利用伪潜力方法和博尔兹曼运输理论.
- 计算了电子分散,状态密度,声子特性和光学常数.
- 在高压 (60-100 GPa) 和高温 (50-800 K) 下评估热电性能.
主要成果:
- 在环境和高压下,CsNbO3是动态稳定的.
- 环境压力带间隙为1.95 eV,随着压力增加而减少.
- 光学特性表明传感器和光电子产品的潜力.
- 热电参数表明适合用于能源采集.
结论:
- CsNbO3在高压下表现出有前途的热电和光电子性能.
- 该材料是先进能源采集应用的潜在候选者.
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