Journal ArticleDOI
Surface magnetic moments and electronic structure of Cr(100), Fe(100), and Ni(100) near the Fermi level
TLDR
The results of the ab initio self-consistent spin-polarized FLAPW calculations of the electronic structure of seven-layer Cr(100, Fe(100), and Ni(100) films are presented in this paper.About:
This article is published in Surface Science.The article was published on 1995-07-01. It has received 24 citations till now. The article focuses on the topics: Fermi level & Magnetization.read more
Citations
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Journal ArticleDOI
Magnetism in ultrathin film structures
TL;DR: In this article, the results of recent experimental and theoretical studies of well characterized epitaxial structures based on Fe, Co and Ni to illustrate how intrinsic fundamental properties such as the magnetic exchange interactions, magnetic moment and magnetic anisotropies change markedly in ultrathin films as compared with their bulk counterparts, and to emphasize the role of atomic scale structure, strain and crystallinity in determining the magnetic properties.
Journal ArticleDOI
Structural, electronic, and magnetic properties of bcc iron surfaces
P. Błoński,Adam Kiejna +1 more
TL;DR: In this paper, the topmost layer relaxations reproduce well the experimental contractions and their variation with the surface crystallographic orientation, and surface roughness, and can be explained in terms of a simple electrostatic picture.
Journal ArticleDOI
Theoretical study of oxygen adsorption at the Fe(1 1 0) and (1 0 0) surfaces
TL;DR: In this paper, the electronic, magnetic and structural properties of atomic oxygen adsorbed in on-surface and subsurface sites at the two most densely packed iron surfaces were investigated using density functional theory combined with a thermodynamics formalism.
Journal ArticleDOI
First-principles study of the relaxation and energy of bcc-Fe, fcc-Fe and AISI-304 stainless steel surfaces
TL;DR: In this article, the structural properties and surface relaxations of bcc-Fe and AISI-304 stainless steel surfaces were investigated by using first-principles total energy calculations.
Journal ArticleDOI
Structural, electronic and magnetic properties of nickel surfaces
TL;DR: In this article, the structural, electronic and magnetic properties of the low-index surfaces of Nickel have been investigated via fully selfconsistent ab-initio local spin density functional (LSDF) calculations.
References
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Journal ArticleDOI
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
TL;DR: The authors assess various approximate forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin density a...
Journal ArticleDOI
Observation of vacuum tunneling of spin-polarized electrons with the scanning tunneling microscope
TL;DR: Topographic STM images of the Cr(001) surface using a tungsten tip confirm the model of topological antiferromagnetism between ferromagnetic terraces separated by monatomic steps of 0.144 nm height.
Journal ArticleDOI
Solution of Poisson’s equation: Beyond Ewald‐type methods
TL;DR: In this article, a general method for solving Poisson's equation without shape approximation for an arbitrary periodic charge distribution is presented, based on the concept of multipole potentials and the boundary value problem for a sphere.
Journal ArticleDOI
Surface ferromagnetism of Cr(001)
C. L. Fu,Arthur J Freeman +1 more
TL;DR: In this article, a self-consistent all-electron local-spin density-functional studies of the electronic and magnetic properties of a seven-layer Cr(001) film are reported using a full-potential linearized augmented-plane-wave method.
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse,Jürgen Furthmüller +1 more