Magnetism electronic structure

Ceramic Systems Deposition Techniques Used AppiIcatlons Magnetic,Electronic, Structural Optoelectronic ... 

Venanzi T J 1982 Nuclear magnetic resonance coupling constants and electronic structure in molecules J. Chem. Educ. 59 144-8... 

Podloucky R, Zeller R and Dederichs P H 1980 Electronic structure of magnetic Impurities calculated from first principles Phys. Rev. B 22 5777... 

Cambridge) and J. H. van Vleck (Harvard) fundamental theoretical investigations of the electronic structure of magnetic and disordered systems. 

It is clear that an ah initio calculation of the ground state of AF Cr, based on actual experimental data on the magnetic structure, would be at the moment absolutely unfeasible. That is why most calculations are performed for a vector Q = 2ir/a (1,0,0). In this case Cr has a CsCl unit cell. The local magnetic moments at different atoms are equal in magnitude but opposite in direction. Such an approach is used, in particular, in papers [2, 3, 4], in which the electronic structure of Cr is calculated within the framework of spin density functional theory. Our paper [6] is devoted to the study of the influence of relativistic effects on the electronic structure of chromium. The results of calculations demonstrate that the relativistic effects completely change the structure of the Or electron spectrum, which leads to its anisotropy for the directions being identical in the non-relativistic approach. 

Singh, D.J., 1988, Electronic structure, magnetism and stability of Co-doped NiAl, Phys. Rev. B 46 14392. Vvedensky, D.D., 1992, Theory of X-ray absorption fine structure, in Unoccupied electronic states fundamentals ofXANES, EELS, IPS and BIS, Topics in Applied Physics, Vol. 69, J.C. Euggle and J.E. Inglesfiels, eds. Springer, Berlin. 

G. M. Pastor, R. Hirsch and B. Muhlschleger, Electron correlations, magnetism and structure of small clusters , Phys. Rev. Lett. 72 3879 (1994). 

In order to perform the calculation., of the conductivity shown here we first performed a calculation of the electronic structure of the material using first-principles techniques. The problem of many electrons interacting with each other was treated in a mean field approximation using the Local Spin Density Approximation (LSDA) which has been shown to be quite accurate for determining electronic densities and interatomic distances and forces. It is also known to reliably describe the magnetic structure of transition metal systems. 

After we obtained the self-consistent electronic structure of the magnetic multilayers we calculated the non-local conductivity by evaluating the quantum mechanical linear response of the current to the electric field using an approach developed by Kubo and Greenwood. In this approach the conductivity is obtained from a configurational average of two one-electron Green functions ... 

Until about 20 years ago, the valence bond model discussed in Chapter 7 was widely used to explain electronic structure and bonding in complex ions. It assumed that lone pairs of electrons were contributed by ligands to form covalent bonds with metal atoms. This model had two major deficiencies. It could not easily explain the magnetic properties of complex ions. 

Electronic Structure and Magnetism of Inorganic Compounds. Volumes 1-7 (1970-1980). Electrochemistry. Volumes 1 and 2 (1968-1970). 

Magnetic resonance methods in the study of the electronic structure of transition metal complexes. 

Attempts to elucidate the bonding have concentrated mainly on graphite-FeCla- This intercalate is especially suitable as a model compound, because the magnetic and Mossbauer properties of the iron nucleus constitute excellent probes for electronic structure and environment of the latter. 

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