Electron-phonon couplings in the presence of strong interactions

强相互作用下的电子-声子耦合

• 批准号: 2114469
• 金额: --
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2114469
• 关键词: Electron; phonon; couplings; presence; strong

The accurate calculation of the coupling between electrons and phonons is crucial for the qualitative description of various effects in physics and chemistry. Prominent among these is phonon driven superconductivity. We have recently discovered that under certain conditions, strong electronic correlations can lead to a renormalisation of the electron phonon couplings. The purpose of this PhD project is to derive and implement these corrections in the plane wave code CASTEP and subsequently apply them to superconducting materials to assess their magnitude.

电子与声子耦合的精确计算对于物理化学中各种效应的定性描述至关重要。其中最突出的是声子驱动的超导性。我们最近发现，在一定条件下，强电子关联可以导致电子-声子耦合的重整化。这个博士项目的目的是在平面波代码CASTEP中推导和实现这些校正，并随后将其应用于超导材料以评估其大小。