Electronic Structure of Disordered Alloys, Surfaces and Interfaces
Autor Ilja Turek, Václav Drchal, Josef Kudrnovský, Mojmír Sob, Peter Weinbergeren Limba Engleză Hardback – 31 dec 1996
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Specificații
ISBN-13: 9780792397984
ISBN-10: 0792397983
Pagini: 317
Ilustrații: XV, 317 p.
Dimensiuni: 155 x 235 x 19 mm
Greutate: 0.64 kg
Ediția:1997
Editura: Springer Us
Colecția Springer
Locul publicării:New York, NY, United States
ISBN-10: 0792397983
Pagini: 317
Ilustrații: XV, 317 p.
Dimensiuni: 155 x 235 x 19 mm
Greutate: 0.64 kg
Ediția:1997
Editura: Springer Us
Colecția Springer
Locul publicării:New York, NY, United States
Public țintă
ResearchCuprins
1 Introduction.- 1.1 Electronic Structure of Solids.- 1.2 Systems with Reduced Symmetry.- 1.3 Tight-Binding Approximation.- 1.4 Resolvents and Green Functions.- References.- 2 Linear Muffin-Tin Orbital (LMTO) Method.- 2.1 Secular Equation.- 2.2 Variational Principle.- References.- 3 Green Function Method.- 3.1 Green Functions in Solids.- 3.2 Tight-Binding LMTO Method.- 3.3 Relation to the KKR Method.- 3.4 Green Functions in Layered Systems.- 3.5 Calculation of Observables.- References.- 4 Coherent Potential Approximation (CPA).- 4.1 Configurational Average of Green Function.- 4.2 Single-Site Approximation.- 4.3 Calculation of Observables.- 4.4 Properties and Limitations of the CPA.- References.- 5 Selfconsistency Within Atomic Sphere Approximation.- 5.1 Charge Selfconsistency.- 5.2 Electrostatic (Madelung) Fields.- 5.3 Total Energy.- References.- 6 Relativistic Theory.- 6.1 Relativistic TB-LMTO Method: Non-Magnetic Case.- 6.2 Relativistic TB-LMTO Method: Spin-Polarized Case.- References.- 7 Bulk Systems, Overlayers and Surfaces.- 7.1 Bulk Elemental Metals.- 7.2 Bulk Transition-Metal Alloys.- 7.3 Clean Surfaces and Overlayers.- 7.4 Random Overlayers.- 7.5 Surfaces of Random Alloys.- References.- 8 Magnetic Properties.- 8.1 Ferromagnetic Bulk Alloys.- 8.2 Magnetism of Surfaces and Interfaces.- 8.3 Disordered Local Moments.- References.- 9 Effective Interatomic Interactions in Alloys.- 9.1 Ising Model for Alloys.- 9.2 Generalized Perturbation Method.- 9.3 Bulk Systems.- 9.4 Surfaces.- 9.5 Concluding Remarks.- References.- 10 Numerical Implementation.- 10.1 Tight-Binding Structure Constants.- 10.2 Radial Schrödinger and Dirac Equations.- 10.3 Complex Contour Energy Integration.- 10.4 Analytic Continuation.- 10.5 Brillouin Zone Integration.- 10.6 Surface Green Functions.-10.7 Coherent Potential Approximation.- 10.8 Local Spin Density Approximation.- References.