Fundamental understanding of electronic transitions in platinum group metals and alloys from high-pressure experiment and ab initio theory

从高压实验和从头算理论对铂族金属和合金中电子跃迁的基本理解

• 批准号: 338621729
• 负责人: Professorin Dr. Natalia Dubrovinskaia
• 金额: --
• 依托单位: Bayerisches Forschungsinstitut für Experimentelle Geochemie und Geophysik (BGI)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2017
• 资助国家: 德国
• 起止时间: 2016-12-31 至 2022-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/338621729?language=en
• 关键词: Fundamental; understanding; electronic; transitions; platinum

The behavior of matter at extreme conditions is fascinating. Compression gives rise to a qualitative modification of properties of matter, such as structural and magnetic phase transitions, transformation from ferromagnetism to superconductivity, forming new super-states of matter, and other phenomena. The ultimate goal of the project is to study the phase relations, structures, and thermoelastic properties of platinum group metals (PGMs) and their alloys at multimegabar pressure, 200 GPa and above, and variable temperatures by means of in situ powder and single crystal X-ray diffraction in externally and laser heated DACs (and dsDACs) combined with advanced theoretical simulations. We will establish regularities in the high-pressure behavior of PGMs and their alloys with focus on the detection of electronic transitions, including a novel pressure induced core-level crossing transition.

物质在极端条件下的行为令人着迷。压缩引起物质性质的质的改变，如结构相变和磁性相变，从铁磁性到超导电性的转变，形成新的物质超态等现象。该项目的最终目标是通过外部加热和激光加热DAC(和dsDAC)中的原位粉末和单晶X射线衍射，结合先进的理论模拟，研究铂族金属(PGMS)及其合金在几兆巴压力、200 Gpa及以上和可变温度下的相关系、结构和热弹性性质。我们将建立PGMS及其合金高压行为的规律性，重点是检测电子跃迁，包括一种新的压力诱导的芯-能级交叉跃迁。