掺杂驱动的莫特相变：基于稳态密度泛函理论的研究
Doping-driven Mott transition from steady-state density functional theory
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中文总结 AI 辅助
该研究基于稳态密度泛函理论（i-DFT），推导其交换关联偏置与多体准粒子权重的关联以构建近似，成功捕获哈伯德模型中掺杂驱动的莫特相变。
中文摘要 AI 辅助
在稳态密度泛函理论（i-DFT）框架内描述哈伯德模型中掺杂驱动的莫特相变。为了获取i-DFT中的多体谱函数，需要任意密度和电流下交换关联（xc）偏置的近似。通过费米液体理论，推导了i-DFT的xc偏置与多体理论准粒子权重的关联，并利用该结果指导近似的构建。采用该泛函得到的数值结果表明，i-DFT确实可以捕获掺杂驱动的莫特相变。
英文摘要
We describe the doping-driven Mott transition in the Hubbard model within the framework of steady-state density functional theory, or i-DFT. In order to access the many-body spectral function in i-DFT, an approximation to the exchange-correlation (xc) bias at arbitrary density and current is required. By making use of Fermi-liquid theory, we derive conditions on the xc bias of i-DFT in terms of the quasiparticle weight, thus establishing a clear connection between i-DFT and Fermi-liquid theory. The Fermi liquid conditions are then employed to guide the construction of an approximation to the xc bias functional. Numerical results obtained with this functional demonstrate that the doping-driven Mott transition can indeed be captured with i-DFT. More generally, our i-DFT approach to calculate spectral functions establishes an explicit form for the functional relationship between the many-body spectral function and the ground state electronic density.
发表机构
- Universidad de Alicante（阿利坎特大学）
- Universidad del País Vasco EHU（巴斯克大学）
- IKERBASQUE, Basque Foundation for Science（伊克尔巴斯奎，巴斯克科学基金会）
- Donostia International Physics Center (DIPC)（圣塞巴斯蒂安国际物理中心）
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