Electronic structure and exchange interactions of Na2V3O7 / Mazurenko VV,Mila F,Anisimov VI // PHYSICAL REVIEW B. - 2006. - V. 73, l. 1.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

We have performed first-principle calculations of the electronic structure and exchange couplings for the nanotube compound Na2V3O7 using the local-density approximation Hubbard parameter U approach. Our results show that while the intraring exchange interactions are mainly antiferromagnetic, the inter-ring couplings are ferromagnetic. We argue that this is a consequence of the strong hybridization between filled and vacant 3d vanadium orbitals due to the low symmetry of Na2V3O7, which results into strong, and often dominant, ferromagnetic contributions to the total exchange interaction between vanadium atoms. A comparison with results of previous works is included.

Author keywords:

MAGNETIC-PROPERTIES; VANADATES CAV2O5; MGV2O5; DENSITY

DOI:

10.1103/PhysRevB.73.014418

Web of Science ID:

ISI:000235009000082

Соавторы в МНС:

Другие поля

Поле	Значение
Month	JAN
Publisher	AMERICAN PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	014418
Keywords-Plus	MAGNETIC-PROPERTIES; VANADATES CAV2O5; MGV2O5; DENSITY
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Mazurenko, Vladimir/E-7694-2011 Mazurenko, Vladimir/P-9241-2017 Anisimov, Vladimir/K-1235-2013
ORCID-Numbers	Anisimov, Vladimir/0000-0002-1087-1956 Mila, Frederic/0000-0003-4306-7996
Number-of-Cited-References	24
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	13
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	007ZC