RUS  ENG JOURNALS   PEOPLE   ORGANISATIONS   CONFERENCES   SEMINARS   VIDEO LIBRARY   PERSONAL OFFICE
General information
Latest issue
Archive
Impact factor

Search papers
Search references

RSS
Latest issue
Current issues
Archive issues
What is RSS



Pis'ma v Zh. Èksper. Teoret. Fiz.:
Year:
Volume:
Issue:
Page:
Find






Personal entry:
Login:
Password:
Save password
Enter
Forgotten password?
Register


Pis'ma v Zh. Èksper. Teoret. Fiz., 2009, Volume 89, Issue 4, Pages 191–193 (Mi jetpl360)  

This article is cited in 1 scientific paper (total in 1 paper)

ATOMS, SPECTRA, RADIATIONS

FeO double-well potential as a result of spin density redistribution

O. V. Gornostaeva, V. M. Shatalov, Yu. G. Pashkevich

Donetsk Physical-Technical Institute, National Academy of Sciences of Ukraine

Abstract: According to the calculation of the electron structure of the FeO molecule performed by the ZINDO1 semi-empirical technique, the ground-state adiabatic potential has two close minima, each containing one vibration level. The states of the system in this minima differ in the spatial distribution of the spin density: the spin density is centered in the iron atom in the lowest well at 1.95 Å and a fraction of the spin with the opposite sign is transferred to oxygen in the other well at 1.8 Å. The temperature dependence of the fractions of molecules with the different bond lengths in the FeO gas has been found. The probability of switching the spin states has been shown to increase with pressure and temperature.

Full text: PDF file (425 kB)
References: PDF file   HTML file

English version:
Journal of Experimental and Theoretical Physics Letters, 2009, 89:4, 167–169

Bibliographic databases:

PACS: 31.15.-p, 34.20.Gj, 75.30.Wx
Received: 29.12.2008

Citation: O. V. Gornostaeva, V. M. Shatalov, Yu. G. Pashkevich, “FeO double-well potential as a result of spin density redistribution”, Pis'ma v Zh. Èksper. Teoret. Fiz., 89:4 (2009), 191–193; JETP Letters, 89:4 (2009), 167–169

Linking options:
  • http://mi.mathnet.ru/eng/jetpl360
  • http://mi.mathnet.ru/eng/jetpl/v89/i4/p191

    SHARE: VKontakte.ru FaceBook Twitter Mail.ru Livejournal Memori.ru


    Citing articles on Google Scholar: Russian citations, English citations
    Related articles on Google Scholar: Russian articles, English articles

    This publication is cited in the following articles:
    1. Gnezdilov V., Pashkevich Yu., Lemmens P., Gusev A., Lamonova K., Shevtsova T., Vitebskiy I., Afanasiev O., Gnatchenko S., Tsurkan V., Deisenhofer J., Loidl A., “Anomalous optical phonons in FeTe chalcogenides: Spin state, magnetic order, and lattice anharmonicity”, Physical Review B, 83:24 (2011), 245127  crossref  adsnasa  isi  elib  scopus
  •       Pis'ma v Zhurnal ksperimental'noi i Teoreticheskoi Fiziki
    Number of views:
    This page:189
    Full text:51
    References:11

     
    Contact us:
     Terms of Use  Registration  Logotypes © Steklov Mathematical Institute RAS, 2019