Orbital Polarization in Relativistic Density Functional Theory: Spin and Orbital Magnetism - Brossura

Sargolzaei, Mahdi

 
9783838373454: Orbital Polarization in Relativistic Density Functional Theory: Spin and Orbital Magnetism
Brossura
ISBN 10: 3838373456 ISBN 13: 9783838373454
Casa editrice: LAP LAMBERT Academic Publishing, 2010

Sinossi

The description of orbital magnetism by means of modern density functional approaches is considerably less advanced than the evaluation of spin-related magnetic properties. A frequently practiced cure for orbital magnetism are empirical orbital corrections. In the simplest and mostly used version a term proportional to the square of the angular momentum expectation value is added to the exchange and correlation energy for each atom . There is, hitherto, no systematic derivation of the OP corrections from density functional theory. Such a derivation will be given in this book in the framework of the current density functional theory based on the Kohn-Sham-Dirac equation that provides a natural route to orbital magnetism. Related orbital polarization energies of 3d and 4f ions are evaluated.

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L'autore

Dr Mahdi Sargolzaei Born 1976 in Mashhad/Iran. Ph.D at TU Dresden (2006), Post- Doctoral Assistant at UCSB California (2008). Assistant Professor of Physics at Iran University of Science and Technology (IUST). Head of a Computational Material Science Center at IUST. Scientific member at Department of Nano-Sciences, IPM, Tehran.

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Editore
LAP LAMBERT Academic Publishing
Data di pubblicazione
2010
Lingua
Inglese
ISBN 10 
3838373456
ISBN 13 
9783838373454
Rilegatura
Copertina flessibile
Numero di pagine
120
Contatto del produttore
non disponibile
Persona responsabile
KreGa Onlinehandel GmbH
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