Calculation of angle-resolved photo emission spectra within the one-step model of photo emission—Recent developments
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In this article, the spin-orbit induced Rashba splitting of Shockley-type surface states is discussed using a fully relativistic description, and the impact of chemical disorder within surface layers can be handled by the coherent potential approximation (CPA) alloy theory.About:
This article is published in Journal of Electron Spectroscopy and Related Phenomena.The article was published on 2011-04-01 and is currently open access. It has received 34 citations till now. The article focuses on the topics: Angle-resolved photoemission spectroscopy & Coherent potential approximation.read more
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Calculating condensed matter properties using the KKR-Green's function method—recent developments and applications
TL;DR: The KKR-GF method as mentioned in this paper represents the electronic structure of a system directly and efficiently in terms of its single-particle Green's function (GF), which is in contrast to its original version and many other traditional wave-function-based all-electron band structure methods dealing with periodically ordered solids.
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Angle-Resolved Photoemission Studies of Quantum Materials
TL;DR: Angle-resolved photoemission spectroscopy (ARPES) has emerged as a leading experimental probe for studying the complex phenomena in quantum materials, a subject of increasing importance as mentioned in this paper.
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The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy.
TL;DR: The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials in the realm of theoretical spectroscopy as mentioned in this paper, which can be attributed to many factors: favorable scaling with respect to system size, a formal interpretation for charged excitation energies, the importance of dynamical screening in real systems, and its practical combination with other theories.
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An experimentalist's guide to the matrix element in angle resolved photoemission
TL;DR: In this paper, a simple free electron final state approach based on the three-step model to describe the intensity distribution in angle resolved photoemission spectroscopy (ARPES) was developed.
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The GW compendium: A practical guide to theoretical photoemission spectroscopy
TL;DR: The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials as mentioned in this paper, and the success of GW can be attributed to many factors: favorable scaling with respect to system size, a formal interpretation for charged excitation energies, the importance of dynamical screening in real systems, and its practical combination with other theories.
References
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Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
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Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
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Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
TL;DR: The dynamical mean field theory of strongly correlated electron systems is based on a mapping of lattice models onto quantum impurity models subject to a self-consistency condition.
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The density functional formalism, its applications and prospects
Robert O. Jones,Olle Gunnarsson +1 more
TL;DR: In this paper, the authors survey the local density functional formalism and some of its applications and discuss the reasons for the successes and failures of the local-density approximation and some modifications.
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Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
TL;DR: In this paper, a simplified rotational-invariant formulation of the LDA+LDA+U+U algorithm is proposed. Butler and Srinivasan proposed a linear response approach that is internally consistent with the chosen definition for the occupation matrix of the relevant localized orbitals.
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