Interpretation of oxygen 1s X-ray photoelectron spectroscopy of ZnO

TJ Frankcombe, Y Liu - Chemistry of Materials, 2023 - ACS Publications
X-ray photoelectron spectroscopy (XPS) is widely used to determine the chemical and
electronic states of atoms within a material. However, it is often complex to interpret the O 1s …

Surface electronic structure

JE Inglesfield - Reports on Progress in Physics, 1982 - iopscience.iop.org
The theory of the electronic structure of clean metal and semiconductor surfaces is reviewed,
starting from an effective one-electron Schrodinger equation. Methods for solving the …

Magnetism in ultrathin transition metal films

U Gradmann - Handbook of magnetic materials, 1993 - Elsevier
Publisher Summary This chapter discusses the magnetism transition in ultrathin metal films.
In discussing magnetic thin metal films, intrinsic from defect-induced magnetic thin film …

[图书][B] Planewaves, Pseudopotentials, and the LAPW method

DJ Singh, L Nordstrom - 2006 - books.google.com
The first edition of this book, published in 1994, provided an exposition of the LAPW method
and its relationship with other electronic structure approaches, especially Car-Parrinello …

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: molecule

E Wimmer, H Krakauer, M Weinert, AJ Freeman - Physical Review B, 1981 - APS
The linearized-augmented-plane-wave (LAPW) method for thin films is generalized by
removing the remaining shape approximation to the potential inside the atomic spheres. A …

Magnetism in ultrathin film structures

CAF Vaz, JAC Bland, G Lauhoff - Reports on Progress in Physics, 2008 - iopscience.iop.org
In this paper, we review some of the key concepts in ultrathin film magnetism which underpin
nanomagnetism. We survey the results of recent experimental and theoretical studies of well …

Total-energy all-electron density functional method for bulk solids and surfaces

M Weinert, E Wimmer, AJ Freeman - Physical Review B, 1982 - APS
A new formalism for determining highly accurate total energies of solids within density
functional theory is presented in which all necessary terms are easily obtained from the …

[图书][B] The chemical physics of surfaces

SR Morrison - 2013 - books.google.com
of available information. Even more importantly, some authors who have contributed
substantially to an area may have been overlooked. For this I apologize. I have, however …

Efficient ab initio method for the calculation of frequency-dependent second-order optical response in semiconductors

SN Rashkeev, WRL Lambrecht, B Segall - Physical Review B, 1998 - APS
The development of a method for calculating the frequency-dependent second harmonic
generation coefficient of insulators and semiconductors based on the self-consistent …

[图书][B] Theory of itinerant electron magnetism

J Kübler - 2021 - books.google.com
This book, in the broadest sense, is an application of quantum mechanics and statistical
mechanics to the field of magnetism. Under certain well described conditions, an immensely …