4.6 Article

Constraining spin directions in density functional theory calculations by imposing a local magnetic field

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Physics, Multidisciplinary

Giant Biquadratic Exchange in 2D Magnets and Its Role in Stabilizing Ferromagnetism of NiCl2 Monolayers

J. Y. Ni et al.

Summary: In 2D van der Waals magnets, giant biquadratic exchange interactions play a crucial role in monolayer NiX2 (X = Cl, Br, I), contrary to bilinear spin Hamiltonians. These interactions originate from large hopping between unoccupied and occupied orbitals on neighboring magnetic ions, suggesting the importance of biquadratic exchange interactions in 2D magnets with edge-shared octahedra.

PHYSICAL REVIEW LETTERS (2021)

Article Materials Science, Multidisciplinary

Evidence for an electromagnon in GdMn2O5: A multiferroic with a large electric polarization

A. Vaunat et al.

Summary: In this paper, the dynamical properties of GdMn2O5 were studied using inelastic neutron scattering and infrared spectroscopy assisted by ab initio calculations. The research sheds light on the presence of electromagnon, a magnetic mode that can be excited by an electric field. By combining various methods, including spin-wave measurements, simulations, and ab initio calculations, the magnetic contribution to this mode was described in detail, with an exhaustive study of its electroactivity completing the comprehensive investigation of the complex GdMn2O5 system.

PHYSICAL REVIEW B (2021)

Article Physics, Condensed Matter

Multiple-valued electric polarization in multiferroic GdMn2O5 from first principles

Jian-Qing Dai et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2020)

Article Materials Science, Multidisciplinary

Topological spin texture in Janus monolayers of the chromium trihalides Cr(I, X)3

Changsong Xu et al.

PHYSICAL REVIEW B (2020)

Article Materials Science, Multidisciplinary

Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian

R. Cuadrado et al.

JOURNAL OF PHYSICS-MATERIALS (2018)

Article Materials Science, Multidisciplinary

Helimagnetic order in bulk MnSi and CoSi/MnSi superlattices

G. C. Loh et al.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2017)

Article Materials Science, Multidisciplinary

Constrained density functional for noncollinear magnetism

Pui-Wai Ma et al.

PHYSICAL REVIEW B (2015)

Article Chemistry, Inorganic & Nuclear

Magnetic properties and energy-mapping analysis

Hongjun Xiang et al.

DALTON TRANSACTIONS (2013)

Article Physics, Multidisciplinary

Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3

J. H. Yang et al.

PHYSICAL REVIEW LETTERS (2012)

Article Materials Science, Multidisciplinary

Predicting the spin-lattice order of frustrated systems from first principles

H. J. Xiang et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

Noncollinear magnetism at interfaces in iron-chromium alloys: The ground states and finite-temperature configurations

M. Yu Lavrentiev et al.

PHYSICAL REVIEW B (2011)

Article Physics, Multidisciplinary

General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order

H. J. Xiang et al.

PHYSICAL REVIEW LETTERS (2011)

Article Multidisciplinary Sciences

Skyrmion Lattice in a Chiral Magnet

S. Muehlbauer et al.

SCIENCE (2009)

Article Physics, Multidisciplinary

Nobel Lecture: Origin, development, and future of spintronics

Albert Fert

REVIEWS OF MODERN PHYSICS (2008)

Review Multidisciplinary Sciences

Magnetic domain-wall racetrack memory

Stuart S. P. Parkin et al.

SCIENCE (2008)

Article Materials Science, Multidisciplinary

Noncollinear magnetism in density functional calculations

Juan E. Peralta et al.

PHYSICAL REVIEW B (2007)

Article Physics, Multidisciplinary

Calculation of magnetic exchange interactions in Mott-Hubbard systems

Xiangang Wan et al.

PHYSICAL REVIEW LETTERS (2006)

Article Multidisciplinary Sciences

Spontaneous skyrmion ground states in magnetic metals

U. K. Roessler et al.

NATURE (2006)

Article Materials Science, Multidisciplinary

Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method

P Kurz et al.

PHYSICAL REVIEW B (2004)