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Article
Open AccessAtomic-scale engineering of magnetic anisotropy of nanostructures through interfaces and interlines
The central goals of nanoscale magnetic materials science are the self-assembly of the smallest structure exhibiting ferromagnetic hysteresis at room temperature, and the assembly of these structures into the ...
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Article
Magnetic anisotropy of deposited transition metal clusters
We present results of magnetic torque calculations using the fully relativistic spin-polarized Korringa-Kohn-Rostoker approach applied to small Co and Fe clusters deposited on the Pt(111) surface. From the mag...
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Article
Lanthanide contraction and magnetism in the heavy rare earth elements
The heavy rare earth elements differ only in their number of 4f electrons, but this subtle difference leads to a wide variety of magnetic structures. This paper rationalizes this diversity of behaviours within a ...
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Article
Ordering tendencies in alloys and their microscopic origins from a first-principles theory of concentration waves
Compositional, displacement, and magnetic pair-correlation functions in alloys are measured directly by diffuse scattering techniques. A first-principles theory of short-range order in high-temperature, disord...
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Chapter
Competing Mechanisms for Ordering Tendencies in BCC CuAuZn2 and FCC AuFe Alloys
We have implemented a first-principles theory of short-range order in high-temperature, disordered, multicomponent alloys (and magnetic and paramagnetic binary alloys) which determines the atomic (and magnetic...
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Chapter
Fluctuations in Density Functional Theory: Random Metallic Alloys and Itinerant Paramagnets
Multicomponent metallic systems frequently form random solid solutions. In this interesting state of condensed matter, on the average, atoms occupy a regular array of lattice sites but the nature of the atom o...
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Chapter
An IPES Confirmation of CPA Predictions for Ni-Fe Alloys
Inverse photoelectron spectrometry at normal incidence to the (110) faces of Ni0.75Fe0.25, Ni0.50Fe0.50 and Ni has been used to confirm the predictions of a SCF-KKR-CPA calculation for the amount of disorder scat...
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Chapter
A Multiple Scattering Theory of Magnetic Coupling Between Metallic Multilayers
We have developed a new multiple scattering theory approach for magnetic metallic multilayers. This formalism allows us, in a first principles, parameter free, scheme, the calculation of the magne...
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Chapter
The Origins of Ordering in CuPt
The alloy CuPt is one of the few that order into a L11 crystal structure, i.e. planes of copper and planes of platinum perpendicular to the > 111 < direction. For disordered CuPt, the calculated Warren-Cowley sho...
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Chapter
Concentration Waves,Itinerant Electrons and Onsager Cavity Fields
We refer to a theory for the compositional correlation function for metallic alloys in which the electronic structure is treated in a ‘first principles’ fashion. With the assumption that the underlying lattice...
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Chapter
First Principles Theory of Disordered Alloys and Alloy Phase Stability
Almost immediately after the discovery of quantum mechanics, physicists and metallurgist began the task of trying to understand the origins of alloy phase stability in terms of the underlying electronic struct...
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Chapter
First Principles Theory of Alloy Phase Stability: Ordering and Pre-Martensitic Phenomena in β-Phase NiAl
We review, briefly, the first principles KKR-CPA theory of the electronic structure and energetics of alloys in which compositional disorder plays a role. We also review the first principles theories of orderi...
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Chapter
On the Causes of Compositional Order in NiPt Alloys
We review, briefly, the arguments which gave rise to the current controversy concerning the origin of compositional order in NicPt(1-c) alloys. We note that strain fluctuations play an important role in determini...
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Article
Spin Polarised Relativistic Kkr
We review spin polarised multiple scattering theory and show how it can provide a description of magnetic anisotropic effects in metallic systems. An interpretation in terms of the leading relativistic correct...
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Article
Compositional Disorder, Magnetism, and Their Interplay in Metallic Alloys
Chemical disorder leads to a variety of intriguing phenomena in alloys which have yet to be fully understood, particularly those phenomena occuring when chemical and magnetic effects interplay with one another...
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Chapter
Relativistic Density-Functional Theory for Electrons in Solids
Practising solid state physicists are accustomed to using two dramatically different approaches to describing the electron ‘glue’ that holds the atomic nuclei together. The first pictures the solid as made up ...
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Article
Photoemission Measurements from Nickel-Iron Alloys
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Article
Local Environmental Effects in Magnetic Alloys and Multilayers: Calculations of the Static Response Functions
We have developed an ab-initio method for calculating the static response functions in substitutional alloys. For magnetic alloys, in addition to the nuclear diffuse scattering, a contribution to the alloy dif...
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Chapter
Local Density Theory of Magnetism and Its Interrelation with Compositional Order in Alloys
It is well known that the most important source of magnetic interactions arises from electrostatic electron-electron interactions — the quantum mechanical exchange interactions. In magnetic insulators it is po...
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Chapter and Conference Paper
Magnetism and chemical order in metallic alloys