Weak ferromagnetism in Mn nanochains on the CuN surface / Rudenko A. N.,Mazurenko V. V.,Anisimov V. I.,Lichtenstein A. I. // PHYSICAL REVIEW B. - 2009. - V. 79, l. 14.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

We investigate the electronic and magnetic structures of Mn chains supported on a CuN surface, using first-principles LSDA and LDA+U methods. The isotropic exchange integrals and anisotropic Dzyaloshinskii-Moriya interactions between Mn atoms are calculated using the Green's function technique and total energies difference method. It is shown that lattice relaxation and on-site Coulomb interaction are important for an accurate description of the magnetic properties of the investigated nanosystems. Based on a classical spin Hamiltonian we conclude that the Mn antiferromagnetic nanochains on the CuN surface demonstrate weak ferromagnetism. The net magnetic moment and direction of the spin canting are estimated in the framework of a classical spin Hamiltonian. We show that some aspects of the experimental spectrum can be explained using a quantum spin Hamiltonian, with parameters defined from first-principles calculations and extracted from recent STM experiments.

Author keywords:

antiferromagnetic materials; density functional theory; electronic structure; exchange interactions (electron); Green's function methods; magnetic moments; magnetic structure; manganese; nanostructure STRONGLY CORRELATED SYSTEMS; AUGMENTED-WAVE METHOD; MAGNETOCRYSTALLINE ANISOTROPY; ELECTRONIC-STRUCTURE; MAGNETIC-MOMENT; NANOPARTICLES; SIMULATIONS; ALLOYS

DOI:

10.1103/PhysRevB.79.144418

Web of Science ID:

ISI:000265943200080

Соавторы в МНС:

Другие поля

Поле	Значение
Month	APR
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	144418
Keywords-Plus	STRONGLY CORRELATED SYSTEMS; AUGMENTED-WAVE METHOD; MAGNETOCRYSTALLINE ANISOTROPY; ELECTRONIC-STRUCTURE; MAGNETIC-MOMENT; NANOPARTICLES; SIMULATIONS; ALLOYS
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Rudenko, Alexander/E-2737-2017 Mazurenko, Vladimir/E-7694-2011 Anisimov, Vladimir/K-1235-2013 Lichtenstein, Alexander/K-8730-2012 Mazurenko, Vladimir/P-9241-2017
ORCID-Numbers	Anisimov, Vladimir/0000-0002-1087-1956 Lichtenstein, Alexander/0000-0003-0152-7122
Funding-Acknowledgement	DFG (Germany) {[}SFB 668-A3]; INTAS Young Scientist Fellowship Program {[}04-83-3230]; Russian Foundation for Basic Research {[}RFFI 07-02-00041, RFFI 06-02-81017]; President of Russian Federation {[}MK-1041.2007.2]; Intel Scholarship Grant {[}2.1.1/779]
Funding-Text	We would like to thank F. Mila, M. Troyer, M. Sigrist, I. V. Solovyev, and F. Lechermann for helpful discussions. The hospitality of the Institute of Theoretical Physics of Hamburg University is gratefully acknowledged. This work is supported by DFG Grant No. SFB 668-A3 (Germany), INTAS Young Scientist Fellowship Program Ref. No. 04-83-3230, Russian Foundation for Basic Research Grants No. RFFI 07-02-00041 and No. RFFI 06-02-81017, the grant program of President of Russian Federation Grant No. MK-1041.2007.2, Intel Scholarship Grant and the scientific program ``Development of scientific potential of universities{''} Grant No. 2.1.1/779. The calculations were performed using the facilities of the ``University Center of Parallel Computing{''} of USTU-UPI and Gonzales cluster at ETH-Zurich.
Number-of-Cited-References	33
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	22
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	443XD