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Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model. / Иванов, Алексей Владимирович; Бессараб, П.Ф.; Jónsson, H.; Уздин, Валерий Моисеевич.

In: Nanosystems: Physics, Chemistry, Mathematics, Vol. 11, No. 1, 02.2020, p. 65-77.

Research output: Contribution to journal › Article › peer-review

Harvard

Иванов, АВ, Бессараб, ПФ, Jónsson, H & Уздин, ВМ 2020, 'Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model', Nanosystems: Physics, Chemistry, Mathematics, vol. 11, no. 1, pp. 65-77. https://doi.org/10.17586/2220-8054-2020-11-1-65-77

APA

Иванов, А. В., Бессараб, П. Ф., Jónsson, H., & Уздин, В. М. (2020). Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model. Nanosystems: Physics, Chemistry, Mathematics, 11(1), 65-77. https://doi.org/10.17586/2220-8054-2020-11-1-65-77

Vancouver

Иванов АВ, Бессараб ПФ, Jónsson H, Уздин ВМ. Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model. Nanosystems: Physics, Chemistry, Mathematics. 2020 Feb;11(1):65-77. https://doi.org/10.17586/2220-8054-2020-11-1-65-77

Author

Иванов, Алексей Владимирович ; Бессараб, П.Ф. ; Jónsson, H. ; Уздин, Валерий Моисеевич. / Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model. In: Nanosystems: Physics, Chemistry, Mathematics. 2020 ; Vol. 11, No. 1. pp. 65-77.

BibTeX

@article{3421bfbbed7d4d17968f833c33a41ff1,
title = "Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model",
abstract = "An implementation of the non-collinear Alexander-Anderson model for itinerant electrons in magnetic systems is presented where self-consistency is reached for specified directions of the magnetic moments. This is achieved by means of Lagrange multipliers and a variational principle for determining the transverse and longitudinal components of the magnetic moments as well as the average number of d-electrons using direct optimisation. Various optimisation algorithms are compared and the limited memory Broyden-Fletcher-Goldfarb-Shanno algorithm is found to give the best performance. An application to antiferromagnetic Cr crystal is presented where spin-dynamics and curvature of the energy surface are calculated to compare results obtained with and without the constraints on the orientation of the magnetic moments.",
keywords = "Alexander-Anderson model, ENERGY, EXCHANGE INTERACTIONS, METALS, STATES, WAVE, constraints, itinerant magnetism, non-stationary configurations",
author = "Иванов, {Алексей Владимирович} and П.Ф. Бессараб and H. J{\'o}nsson and Уздин, {Валерий Моисеевич}",
year = "2020",
month = feb,
doi = "10.17586/2220-8054-2020-11-1-65-77",
language = "English",
volume = "11",
pages = "65--77",
journal = "Nanosystems: Physics, Chemistry, Mathematics",
issn = "2220-8054",
publisher = "НИУ ИТМО",
number = "1",

}

RIS

TY - JOUR

T1 - Fully self-consistent calculations of magnetic structure within non-collinear Alexander–Anderson model

AU - Иванов, Алексей Владимирович

AU - Бессараб, П.Ф.

AU - Jónsson, H.

AU - Уздин, Валерий Моисеевич

PY - 2020/2

Y1 - 2020/2

N2 - An implementation of the non-collinear Alexander-Anderson model for itinerant electrons in magnetic systems is presented where self-consistency is reached for specified directions of the magnetic moments. This is achieved by means of Lagrange multipliers and a variational principle for determining the transverse and longitudinal components of the magnetic moments as well as the average number of d-electrons using direct optimisation. Various optimisation algorithms are compared and the limited memory Broyden-Fletcher-Goldfarb-Shanno algorithm is found to give the best performance. An application to antiferromagnetic Cr crystal is presented where spin-dynamics and curvature of the energy surface are calculated to compare results obtained with and without the constraints on the orientation of the magnetic moments.

AB - An implementation of the non-collinear Alexander-Anderson model for itinerant electrons in magnetic systems is presented where self-consistency is reached for specified directions of the magnetic moments. This is achieved by means of Lagrange multipliers and a variational principle for determining the transverse and longitudinal components of the magnetic moments as well as the average number of d-electrons using direct optimisation. Various optimisation algorithms are compared and the limited memory Broyden-Fletcher-Goldfarb-Shanno algorithm is found to give the best performance. An application to antiferromagnetic Cr crystal is presented where spin-dynamics and curvature of the energy surface are calculated to compare results obtained with and without the constraints on the orientation of the magnetic moments.

KW - Alexander-Anderson model

KW - ENERGY

KW - EXCHANGE INTERACTIONS

KW - METALS

KW - STATES

KW - WAVE

KW - constraints

KW - itinerant magnetism

KW - non-stationary configurations

UR - https://www.mendeley.com/catalogue/a8cf6327-10be-326d-9740-f9eaad81b8ed/

U2 - 10.17586/2220-8054-2020-11-1-65-77

DO - 10.17586/2220-8054-2020-11-1-65-77

M3 - Article

VL - 11

SP - 65

EP - 77

JO - Nanosystems: Physics, Chemistry, Mathematics

JF - Nanosystems: Physics, Chemistry, Mathematics

SN - 2220-8054

IS - 1

ER -

ID: 71751801