TITLE

The external heavy atom effect: Theory of spin–orbit coupling of alkali and noble metals in rare gas matrices

AUTHOR(S)
Pellow, Robert; Vala, Martin
PUB. DATE
May 1989
SOURCE
Journal of Chemical Physics;5/15/1989, Vol. 90 Issue 10, p5612
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Recent data from magnetic circular dichroism (MCD) and optical absorption studies of alkali and noble metal atoms in rare gas matrices have shown an interesting and significant influence of the rare gas on the spin–orbit (SO) splitting of the metal excited 2P state. The excited state SO coupling constants extracted from these data can be classified into three major categories: (I) positive and greater than gas phase values, (II) positive and less than gas phase values, and (III) negative and less than gas phase values. A theory for the spin–orbit coupling of a noble or alkali metal in a rare gas matrix is presented. A supermolecule model in which the metal is surrounded by 12 tetradecahedrally situated rare gas atoms is used to calculate the SO splitting. The splitting is found to depend on three quantities: the metal–rare gas σ- and π-type overlap integrals, the ratio of rare gas-to-metal SO coupling constants, and the metal–rare gas molecular orbital mixing coefficients. Using computed overlap integrals and empirical SO coupling constants it is shown that the model is capable of predicting qualitatively the three major categories of metal–rare gas spin–orbit constants. Finally, a semiempirical approach is utilized to estimate the mixing coefficients and quantitative SO ‘‘reduction’’ factors are determined. This parameterless theory is shown to predict all the important trends well.
ACCESSION #
7643433

 

Related Articles

  • Vibronic structure of magnetic circular dichroism (MCD) spectra. II. Perturbational treatment of vibronic coupling effects in molecules with nondegenerate electronic states. Zgierski, Marek Z. // Journal of Chemical Physics;7/1/1986, Vol. 85 Issue 1, p109 

    Vibronic coupling effects in the MCD spectra of polyatomic molecules with nondegenerate electronic states are studied theoretically. The construction of vibronic wave functions for a molecule in which vibronic coupling can be treated by perturbation theory is discussed in detail. These wave...

  • Dielectric tensor formulation of magnetic dichroism sum rules. Zhao, Dai; Hochst, Hartmut; Huber, David L. // Journal of Applied Physics;9/1/1998, Vol. 84 Issue 5, p2858 

    Describes the formalism used to interpret the magnetic circular dichroism sum rules in terms of the complex dielectric tensor. Utilization of the Maxwell-Fresnel theory; Application of the formalism applied to the reflection spectra of iron; Consequences of the energy dependence of the...

  • Erratum: Magnetic circular dichroism of Na3Eu(ODA)3·2NaClO4·6H2O [J. Chem. Phys. 100, 815 (1994)]. Görller-Walrand, C.; Verhoeven, P.; D’Olieslager, J.; Fluyt, L.; Binnemans, K. // Journal of Chemical Physics;10/15/1994, Vol. 101 Issue 8, p7189 

    Presents a correction on an article about magnetic circular dichroism.

  • A direct two-dimensional comparison of magnetic circular dichroism and magnetic linear dichroism in ultraviolet photoemission spectroscopy. Gao, Xingyu; Koveshnikov, Alexey N.; Madjoe, Reginaldt H.; Subramanian, Krishnan; Mankey, Gary J.; Stockbauer, Roger L.; Kurtz, Richard L. // Journal of Applied Physics;5/15/2002 Part 1, 2 & 3, Vol. 91 Issue 10, p7364 

    The angular dependence of magnetic dichroism in photoemission (MDAD) from valence bands is more complicated than that from core levels. It gives access to spin-resolved information about the bands involved in the photoexcitation process. By using a unique ellipsoidal-mirror analyzer, we are able...

  • Quadrupolar and dipolar contributions to x-ray magnetic circular dichroism at the Tb L[sub 3,2] edges: Experiment versus theory. Wende, H.; Li, Z.; Scherz, A.; Ceballos, G.; Baberschke, K.; Ankudinov, A.; Rehr, J. J.; Wilhelm, F.; Rogalev, A.; Schlagel, D. L.; Lograsso, T. A. // Journal of Applied Physics;5/15/2002 Part 1, 2 & 3, Vol. 91 Issue 10, p7361 

    We investigate the x-ray magnetic circular dichroism (XMCD) at the L[sub 3,2] edges using a single crystal of Tb as a prototype system for a one-element magnet in order to ascertain the multipolar nature of the features in the dichroic spectra. The high resolution of the experimental data allows...

  • Polarimeter for soft x rays (abstract). Kachel, T.; Holldack, K. // Journal of Applied Physics;4/17/1997, Vol. 81 Issue 8, p5090 

    Presents an abstract of the paper `Polarimeter for Soft X Rays,' presented by T. Kachel, K. Holidack, et al, at the American Institute of Physics' 1997 Conference on Magnetism and Magnetic Materials. Polarimeter developed for measurement of the polarization of magnetic circular dichroism (MCD)...

  • Reply to 'Optical excitation of thin magnetic layers in multilayer structures'. Eschenlohr, A.; Battiato, M.; Maldonado, P.; Pontius, N.; Kachel, T.; Holldack, K.; Mitzner, R.; Föhlisch, A.; Oppeneer, P. M.; Stamm, C. // Nature Materials;Feb2014, Vol. 13 Issue 2, p102 

    A response from the author of the article "Optical excitation of thin magnetic layers in multilayer structures" in a February 2014 issue is presented.

  • Element specific x-ray magnetic circular dichroism magnetization curves using total electron yield. Goering, Eberhard; Fuss, Alex; Weber, Wibke; Will, Judith; Schu¨tz, Gisela // Journal of Applied Physics;11/15/2000, Vol. 88 Issue 10 

    We used x-ray magnetic circular dichroism (XMCD) to obtain element specific magnetization curves. The most common way measuring XMCD in the soft x-ray region is total electron yield (TEY), because of the easy experimental setup and high signal-to-noise ratio compared to fluorescence yield....

  • Optical data storage based on magnetic circular dichroism. Schlichting, W.; Milster, T.D.; Campillo, C.J. // Applied Physics Letters;5/31/1993, Vol. 62 Issue 22, p2751 

    Examines magnetic circular dichroism (MCD) detection as an alternative to optical data storing. Comparison of MCD system against differential detection technique in terms of light efficiency; Application of rotation angle and ellipticity parameters; Techniques in detecting the Kerr effect.

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics