Department Chemie, Physikalische Chemie, Universität München, Butenandtstr. 5-13, 81377, München, Germany.
Swiss Light Source, Paul Scherrer Institute, CH-5232, Villigen, PSI, Switzerland.
Sci Rep. 2017 Aug 18;7(1):8787. doi: 10.1038/s41598-017-09480-y.
The angle-resolved photoemission spectra of the superconductor (Ba K )FeAs have been investigated accounting coherently for spin-orbit coupling, disorder and electron correlation effects in the valence bands combined with final state, matrix element and surface effects. Our results explain the previously obscured origins of all salient features of the ARPES response of this paradigm pnictide compound and reveal the origin of the Lifshitz transition. Comparison of calculated ARPES spectra with the underlying DMFT band structure shows an important impact of final state effects, which result for three-dimensional states in a deviation of the ARPES spectra from the true spectral function. In particular, the apparent effective mass enhancement seen in the ARPES response is not an entirely intrinsic property of the quasiparticle valence bands but may have a significant extrinsic contribution from the photoemission process and thus differ from its true value. Because this effect is more pronounced for low photoexcitation energies, soft-X-ray ARPES delivers more accurate values of the mass enhancement due to a sharp definition of the 3D electron momentum. To demonstrate this effect in addition to the theoretical study, we show here new state of the art soft-X-ray and polarisation dependent ARPES measurments.
我们综合考虑了自旋轨道耦合、无序和电子相关效应,在价带中结合了终态、矩阵元以及表面效应,对超导(Ba K )FeAs 的角分辨光电子能谱进行了研究。我们的研究结果解释了先前被掩盖的该磷化物化合物角分辨光电子能谱响应所有显著特征的起源,并揭示了 Lifshitz 转变的起源。与底层 DMFT 能带结构相比,计算出的角分辨光电子能谱显示出终态效应的重要影响,对于三维状态,角分辨光电子能谱与真实谱函数之间存在偏差。特别是,在角分辨光电子能谱响应中看到的表观有效质量增强并不是准粒子价带的完全内在特性,它可能来自光发射过程的显著外在贡献,因此与真实值不同。由于这种效应对于低光激发能量更为明显,软 X 射线角分辨光电子能谱由于对 3D 电子动量的清晰定义而提供了更准确的质量增强值。除了理论研究,我们在这里还展示了新的软 X 射线和偏振相关角分辨光电子能谱测量的最先进技术,以证明这种效应。