Theory of Core-Level Photoemission and the X-ray Edge Singularity Across the Mott Transition

Abstract

The zero temperature core-level photoemission spectrum is studied across the metal to Mott insulator transition using dynamical mean-field theory and Wilson's numerical renormalization group. An asymmetric power-law divergence is obtained in the metallic phase with an exponent alpha(U,Q)-1 which depends on the strength of both the Hubbard interaction U and the core-hole potential Q. For Q <~ U_c/2 alpha decreases with increasing U and vanishes at the transition (U -> U_c) leading to a symmetric peak in the insulating phase. For Q >~ U_c/2, alpha remains finite close to the transition, but the integrated intensity of the power-law vanishes and there is no associated peak in the insulator. The weight and position of the remaining peaks in the spectra can be understood within a molecular orbital approach.

arXiv comment5 pages, 6 figures

References in corpus (10)

• Transport Coefficients of the Anderson Model via the Numerical Renormalization Group
• Real-time dynamics in Quantum Impurity Systems: A Time-dependent Numerical Renormalization Group Approach
• Zero temperature metal-insulator transition in the infinite-dimensional Hubbard model
• Finite temperature numerical renormalization group study of the Mott-transition
• Generalized Numerical Renormalization Group for Dynamical Quantities
• Nature of Well-Screened State in Hard X-ray Mn 2$p$ Core-Level Photoemission of La${}_{1-x}$Sr${}_x$MnO${}_3$ Films
• Spectral Properties of the Anderson Impurity Model, Comparison of Numerical Renormalization Group and Non--Crossing Approximation
• Core-Level X-Ray Photoemission Satellites in Ruthenates: A New Mechanism Revealing the Mott Transition
• Bulk screening in core level photoemission from Mott-Hubbard and Charge-Transfer systems
• Orthogonality catastrophe in a one-dimensional system of correlated electrons

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