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Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn$_4$ molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+ and Mn2+. The direct calculation of the exchange constants…

The properties of diluted Ga$_{1-x}$Mn$_x$As are calculated for a wide range of Mn concentrations within the local spin density approximation of density functional theory. M\"ulliken population analyses and orbital-resolved densities of…

介观与纳米尺度物理 · 物理学 2025-06-10 Stefano Sanvito , Pablo Ordejon , Nicola A. Hill

Hexagonal MnTe emerges as a critical component in designing magnetic quantum heterostructures, calling for a detailed study. After finding a suitable combination of exchange-correlation functional and corrections, our study within {\em ab…

材料科学 · 物理学 2024-01-30 Suman Rooj , Jayita Chakraborty , Nirmal Ganguli

Density functional calculations with a large unit cell have been conducted to investigate adsorption, segregation and magnetization of Mn monomer on GaAs(110). The Mn adatom is rather mobile along the trench on GaAs(110), with an energy…

统计力学 · 物理学 2009-11-11 J. X. Cao , X. G. Gong , R. Q. Wu

We present a detailed investigation of exchange-dominated nonpropagating spin-wave modes in a series of 100 nm Ga$_{1 - x}$Mn$_{x}$As films with Mn concentrations $x$ ranging from 0.02 to 0.08. The angular and Mn concentration dependences…

Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…

We investigate the interaction of two Mn ions in the dilute magnetic semiconductor GaMnAs using the variational envelope wave function approach within the framework of six band model of the valence band. We find that the effective…

材料科学 · 物理学 2007-05-23 P. Redlinski , G. Zarand , B. Janko

The observation of perpendicular magnetic anisotropy (PMA) at MgO/Fe interfaces boosted the development of spintronic devices based on ultrathin ferromagnetic layers. Yet, magnetization reversal in the standard magnetic tunnel junctions…

介观与纳米尺度物理 · 物理学 2018-05-10 Isidoro Martínez , Coriolan Tiusan , Michel Hehn , Mairbek Chshiev , Farkhad G. Aliev

We present results for the electronic and magnetic structure of Mn and Fe clusters on Nb(110) surface, focusing on building blocks of atomic chains as possible realizations of topological superconductivity. The magnetic ground states of the…

介观与纳米尺度物理 · 物理学 2021-09-29 András Lászlóffy , Krisztián Palotás , Levente Rózsa , László Szunyogh

The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments,…

Magnetic properties of Ga$_{1-x}$Mn$_x$N are studied theoretically by employing a tight binding approach to determine exchange integrals $J_{ij}$ characterizing the coupling between Mn spin pairs located at distances $R_{ij}$ up to the 16th…

材料科学 · 物理学 2014-07-14 C. Simserides , J. A. Majewski , K. N. Trohidou , T. Dietl

The collective behavior of spins in a dilute magnetic semiconductor is determined by their mutual interactions and influenced by the underlying crystal structure. Hence, we begin with the atomic quantum-mechanical description of this system…

材料科学 · 物理学 2010-10-12 Agnieszka Werpachowska , Tomasz Dietl

We present a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga,Mn)As which explains the remarkably large changes observed on low temperature annealing. Careful control of the annealing conditions allows us…

We employ the dynamical mean field approximation to perform a systematic study of magnetism in Ga_{1-x}Mn_xAs. Our model incorporates the effects of the strong spin-orbit coupling on the J=3/2 GaAs valence bands and of the exchange…

强关联电子 · 物理学 2007-05-23 K. Aryanpour , J. Moreno , M. Jarrell , R. S. Fishman

We investigate, angle dependent, the magnetoresistance (MR) of individual self-assembled ferromagnetic GaAs/(Ga,Mn)As core-shell nanowires at cryogenic temperatures. The shape of the MR traces and the observed strong anisotropies in…

The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on the Au(111) metal surface are studied. In…

Direction-dependent anisotropic exchange is a common feature of magnetic systems with strong spin-orbit coupling. Here we study the effect of such exchange upon macroscopic magnetic anisotropy for a face-centered-cubic model. By several…

强关联电子 · 物理学 2015-07-29 Hiroaki Ishizuka , Leon Balents

Inelastic neutron scattering was employed to study the magnetic excitations of Mn3+ dimers in LaMn0.1Ga0.9O3. The nearest-neighbor interaction of Mn3+ ions is ferromagnetic in the basal (a,b)-plane, but antiferromagnetic along the…

强关联电子 · 物理学 2015-05-28 A. Furrer , E. Pomjakushina , V. Pomjakushin , J. P. Embs , Th. Straessle

Because of large spatial separation of the Mn atoms in Heusler alloys the Mn 3d states belonging to different atoms do not overlap considerably. Therefore an indirect exchange interaction between Mn atoms should play a crucial role in the…

材料科学 · 物理学 2009-11-13 E. Sasioglu , L. M. Sandratskii , P. Bruno

Magnetic anisotropy is a key parameter to describe the exchange bias effect in heterostructures. In this paper, we describe explicit density functional calculations of the magnetic structure of an interface between the industrially…

材料科学 · 物理学 2025-09-03 Robert A. Lawrence , Matt I. J. Probert