Ab initio investigation of uranium monochalcogenides / Shorikov A. O.,Medvedeva J. E.,Poteryaev A. I.,Mazurenko V. V.,Anisimov V. I. // JETP LETTERS. - 2010. - V. 91, l. 9. - P. 486-489.

ISSN/EISSN:

0021-3640 / нет данных

Type:

Article

Abstract:

We present ab initio investigation of the electronic structure and magnetic properties of uranium monochal-cogenides: US, USe, UTe. The calculations were performed by using the recently developed LDA+U+SO method in which both Coulomb and spin-orbit interactions have been taken into account in rotationally invariant form. We discuss the problem of choice of the Coulomb interaction value. The calculated {[}111] easy axes agree with those experimentally observed. The electronic configuration 5f (3) was found for all uranium compounds under investigation.

Author keywords:

MAGNETIC-MOMENT; BAND THEORY; IRON; UTE; US

DOI:

10.1134/S0021364010090110

Web of Science ID:

ISI:000279691400011

Соавторы в МНС:

Другие поля

Поле	Значение
Month	MAY
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
Keywords-Plus	MAGNETIC-MOMENT; BAND THEORY; IRON; UTE; US
Research-Areas	Physics
Web-of-Science-Categories	Physics, Multidisciplinary
Author-Email	alexey.shorikov@gmail.com
ResearcherID-Numbers	Anisimov, Vladimir/K-1235-2013 Medvedeva, Julia/F-5693-2015 Poteryaev, Alexander/J-4274-2013 Mazurenko, Vladimir/E-7694-2011 Shorikov, Alexey/J-3551-2013 Mazurenko, Vladimir/P-9241-2017
ORCID-Numbers	Anisimov, Vladimir/0000-0002-1087-1956 Poteryaev, Alexander/0000-0003-4610-0667 Shorikov, Alexey/0000-0001-7607-6130
Funding-Acknowledgement	Russian Foundation for Basic Research {[}09-02-00431a, 10-02-00046-a, 10-02-00546-a]; Russian Federation {[}MK-1162.2009.2]; Russian Federal Agency for Science and Innovation {[}02.740.11.0217]; Ministry of Education and Science of the Russian Federation {[}2.1.1/779]; Nederlandse Organisatie voor Wetenschappelijk Onderzoek {[}047.016.005]; Ural Division and Siberian Branch, Russian Academy of Sciences {[}09-M-23-2008]
Funding-Text	We are grateful to M. A. Korotin for fruitful discussion. This work was supported by the Russian Foundation for Basic Research (project nos. 09-02-00431a, 10-02-00046-a, and 10-02-00546-a), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. MK-1162.2009.2), by the Russian Federal Agency for Science and Innovation (project no. 02.740.11.0217), by the Ministry of Education and Science of the Russian Federation (project no. 2.1.1/779, program ``Development of Scientific potential of Universities{''}), by de Nederlandse Organisatie voor Wetenschappelijk Onderzoek (the Netherlands Organization for Scientific Research, NWO, grant no. 047.016.005), and jointly by the Ural Division and Siberian Branch, Russian Academy of Sciences (project no. 09-M-23-2008).
Number-of-Cited-References	15
Usage-Count-Since-2013	4
Journal-ISO	Jetp Lett.
Doc-Delivery-Number	622UN