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