Computational Quantum Mechanics for Materials Engineers

The EMTO Method and Applications

AvLevente Vitos

Inbunden, Engelska, 2007

Del i serien Engineering Materials and Processes

1 698 kr

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Häftad

1 698 kr

Beskrivning

Today theoretical condensed matter physics, besides its fundamental m- sion to facilitate the understanding of the properties of solid materials at the atomic level, also strives to predict useful quantitative and qualitative data for the development of high-performance materials.

Produktinformation

Utgivningsdatum:2007-08-13
Mått:155 x 235 x 22 mm
Vikt:496 g
Format:Inbunden
Språk:Engelska
Serie:Engineering Materials and Processes
Antal sidor:237
Upplaga:2007
Förlag:Springer London Ltd
ISBN:9781846289507

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Mer om författaren

Dr Levente Vitos is a research fellow at the Research Institute for Solid State Physics and Optics (SZFKI), Budapest, a guest professor at KTH, Sweden, and a researcher at Uppsala University, Sweden. Dr Vitos is considered a world expert on the application of the LMTO quantum mechanical method and its application in materials systems, and the he is the creator of the new EMTO-CPA method. These methods represent the first useful applications of modern applied quantum mechanics that can be used practically in the industrial world of metallurgy and alloy design to model and create novel materials.

Innehållsförteckning

The Method.- Basics of Electronic Structure Calculations.- Exact Muffin-tin Orbitals Method.- Slope Matrix.- Full Charge Density Technique.- The EMTO-CPA Method.- Applications.- Ground-state Properties.- Ordered Solids.- Binary Alloys.- Iron—chromium—nickel Alloys.