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We calculate the structural, electronic, and magnetic properties of MnO from first principles, using the full-potential linearized augmented planewave method, with both local-density and generalized-gradient approximations to exchange and…

Condensed Matter · Physics 2009-10-31 J. E. Pask , D. J. Singh , I. I. Mazin , C. S. Hellberg , J. Kortus

We use a combination of symmetry analysis, phenomenological modelling and first-principles density functional theory to explore the interplay between the magnetic ground state and the detailed atomic structure in the hexagonal rare-earth…

Materials Science · Physics 2022-02-07 Tara N. Tošić , Quintin N. Meier , Nicola A. Spaldin

We have carried out 63,65Cu NMR spectra measurements in magnetic field up to about 15.5 T on single crystal of a multiferroic triangular-lattice antiferromagnet CuCrO2. The measurements were performed for perpendicular and parallel…

Strongly Correlated Electrons · Physics 2014-12-30 Yu. A. Sakhratov , L. E. Svistov , P. L. Kuhns , H. D. Zhou , A. P. Reyes

Cylindrical magnetic nanowires with large transversal magnetocrystalline anisotropy have been shown to sustain non-trivial magnetic configurations resulting from the interplay of spatial confinement, exchange, and anisotropies. Exploiting…

Mesoscale and Nanoscale Physics · Physics 2021-07-29 I. M. Andersen , D. Wolf , L. A. Rodriguez , A. Lubk , D. Oliveros , C. Bran , T. Niermann , U. K. Rößler , M. Vazquez , C. Gatel , E. Snoeck

Symmetry arguments are used to develop a spin Hamiltonian for the description of the complex magnetic ordering in HoMnO$_3$. Using a novel application of the Landau Lifshitz Gilbert dynamic torque equations to this model of the frustrated…

Strongly Correlated Electrons · Physics 2012-02-13 S. G. Condran , M. L. Plumer

Using density functional theory, we investigate the electronic and magnetic properties of $3d$ transition-metal adatoms adsorbed on a monolayer of Mn on W(110). Mn/W(110) has a noncollinear cycloidal spin-spiral ground state with an angle…

Materials Science · Physics 2020-04-15 Mara Gutzeit , Soumyajyoti Haldar , Stefan Heinze

The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+…

The single-molecule magnets {Mn$_{70}$} and {Mn$_{84}$} are characterized by a 14-site unit cell with $S=2$ spin sites arranged in a circular geometry. Experimentally, these systems exhibit a magnetic ground state with a notably low total…

Strongly Correlated Electrons · Physics 2025-02-21 R. Rausch , C. Karrasch

We study the effect of the shape anisotropy on the magnetic domain configurations of a ferromagnetic semiconductor (Ga,Mn)As/GaAs(001) epitaxial wire as a function of temperature. Using magnetoresistance measurements, we deduce the magnetic…

Materials Science · Physics 2015-06-25 K. Hamaya , T. Taniyama , T. Koike , Y. Yamazaki

In the temperature-magnetic field phase diagram, the binary metallic compound MnSi exhibits three magnetic phases below Tc ~ 29 K. An unconventional helicoidal phase is observed in zero field. At moderate field intensity a conical phase…

Strongly Correlated Electrons · Physics 2017-05-11 P. Dalmas de Reotier , A. Maisuradze , A. Yaouanc , B. Roessli , A. Amato , D. Andreica , G. Lapertot

We present angle-dependent high-frequency EPR studies on a single-crystal of a trigonal Mn3 cluster with an unusual structure in which the local magnetic easy-axes of the constituent Mn(III) ions are tilted significantly away from the…

Materials Science · Physics 2018-10-31 Jonathan Marbey , Pei-Rung Gan , En-Che Yang , Stephen Hill

Resistivity measurements are widely exploited to uncover electronic excitations and phase transitions in metallic solids. While single crystals are preferably studied to explore crystalline anisotropies, these usually cancel out in…

Domain structures appear in ultrathin magnetic films, if an easy-axis anisotropy, favouring the direction perpendicular to the film, overcomes the shape anisotropy. We will study the nature of the magnetic ground state and how the different…

Condensed Matter · Physics 2007-05-23 Paolo Politi

We study energetic, magnetic, and electronic properties of diluted substitutional Mn-pairs on the reconstructed $(001)$ GaAs surfaces. The studies are based on first-principles calculations in the framework of the density functional theory.…

Materials Science · Physics 2017-03-29 M. Birowska , C. Śliwa , J. A. Majewski

The anisotropic triangular lattice of the crednerite system Cu(Mn1-xCux)O2 is used as a basic model for studying the influence of spin disorder on the ground state properties of a two-dimensional frustrated antiferromagnet. Neutron…

Strongly Correlated Electrons · Physics 2011-03-31 V. Ovidiu Garlea , Andrei T. Savici , Rongying Jin

We calculate the energies of various multiple-spiral spin configurations for the three-dimensional model of chiral magnets. The ground-state phase diagram is obtained in the space of anisotropy, magnetic field, and interaction parameters.…

Strongly Correlated Electrons · Physics 2015-05-20 Jin-Hong Park , Jung Hoon Han

We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…

Materials Science · Physics 2009-09-10 Abdesalem Houari , Samir. F. Matar , Mohamed A. Belkhir

Detailed structural measurements were conducted on a new perovskite, ScMnO3, and on orthorhombic LuMnO3. Complementary density functional theory (DFT) calculations were carried out, and predict that ScMnO3 possesses E-phase magnetic order…

Strongly Correlated Electrons · Physics 2015-06-19 T. Yu , T. A. Tyson , H. Y. Chen , A. M. M. Abeykoon , Y. -S. Chen , K. H. Ahn

Theoretical predictions of the magnetic anisotropy of antiferromagnetic materials are demanding due to a lack of experimental techniques which are capable of a direct measurement of this quantity. At the same time it is highly significant…

Other Condensed Matter · Physics 2009-11-13 L. Szunyogh , B. Lazarovits , L. Udvardi , J. Jackson , U. Nowak

A first principles study is conducted to explore the changes in the magnetic structure of Mn\textsubscript{3}GaN under anisotropic biaxial strain. Mn\textsubscript{3}GaN is an antiperovskite with a structure similar to that of an ideal…

Materials Science · Physics 2025-10-22 Roman Malyshev , Ingeborg-Helene Svenum , Sverre M. Selbach , Thomas Tybell