Modern theory of orbital magnetic moment in solids
(2017) In Journal of Physics and Chemistry of Solids Abstract
The magnetic moment in a solid is usually associated with the electron spins but there is an additional contribution due to the orbital motion of the electrons. For a finite system such as an atom or molecule the orbital moment can be readily calculated. However, for a periodic system the formula used for finite systems becomes illdefined due to the presence of the position operator. In the last decade a modern theory of orbital magnetization that allows for a rigorous calculation of the magnetic moment of periodic crystals has been developed. This article provides a survey of the theoretical development of this new topic as well as recent, albeit a few, applications of the new formula to real materials. Although the original theory... (More)
The magnetic moment in a solid is usually associated with the electron spins but there is an additional contribution due to the orbital motion of the electrons. For a finite system such as an atom or molecule the orbital moment can be readily calculated. However, for a periodic system the formula used for finite systems becomes illdefined due to the presence of the position operator. In the last decade a modern theory of orbital magnetization that allows for a rigorous calculation of the magnetic moment of periodic crystals has been developed. This article provides a survey of the theoretical development of this new topic as well as recent, albeit a few, applications of the new formula to real materials. Although the original theory was worked out for noninteracting systems, there has been recent progress in the theory of orbital magnetic moment of interacting electrons in solids. To include the effects of electronelectron interactions two approaches have been proposed, one based on current spin density functional theory and another on the manybody Green's function method. The two approaches are very different but both methods provide convenient yet rigorous means of including the effects of exchange and correlations beyond the commonly used local density approximation of density functional theory.
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 author
 Aryasetiawan, F. ^{LU} and Karlsson, K. ^{LU}
 organization
 publishing date
 20171209
 type
 Contribution to journal
 publication status
 epub
 subject
 in
 Journal of Physics and Chemistry of Solids
 publisher
 Elsevier Limited
 external identifiers

 scopus:85039166407
 ISSN
 00223697
 DOI
 10.1016/j.jpcs.2017.12.004
 language
 English
 LU publication?
 yes
 id
 b51ec65759eb458082041ba6e9a4da48
 date added to LUP
 20180108 13:46:30
 date last changed
 20180108 13:46:30
@article{b51ec65759eb458082041ba6e9a4da48, abstract = {<p>The magnetic moment in a solid is usually associated with the electron spins but there is an additional contribution due to the orbital motion of the electrons. For a finite system such as an atom or molecule the orbital moment can be readily calculated. However, for a periodic system the formula used for finite systems becomes illdefined due to the presence of the position operator. In the last decade a modern theory of orbital magnetization that allows for a rigorous calculation of the magnetic moment of periodic crystals has been developed. This article provides a survey of the theoretical development of this new topic as well as recent, albeit a few, applications of the new formula to real materials. Although the original theory was worked out for noninteracting systems, there has been recent progress in the theory of orbital magnetic moment of interacting electrons in solids. To include the effects of electronelectron interactions two approaches have been proposed, one based on current spin density functional theory and another on the manybody Green's function method. The two approaches are very different but both methods provide convenient yet rigorous means of including the effects of exchange and correlations beyond the commonly used local density approximation of density functional theory.</p>}, author = {Aryasetiawan, F. and Karlsson, K.}, issn = {00223697}, language = {eng}, month = {12}, publisher = {Elsevier Limited}, series = {Journal of Physics and Chemistry of Solids}, title = {Modern theory of orbital magnetic moment in solids}, url = {http://dx.doi.org/10.1016/j.jpcs.2017.12.004}, year = {2017}, }