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We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…

Materials Science · Physics 2015-05-18 T. O. Strandberg , C. M. Canali , A. H. MacDonald

We have investigated different geometries of two dimensional (2D) infinite length Ni nanowires of increasing width using spin density functional theory calculations. Our simulations demonstrate that the parallelogram motif is the most…

Mesoscale and Nanoscale Physics · Physics 2015-02-12 Vikas Kashid , Vaishali Shah , H. G. Salunke , Yuriy Mokrousov , Stefan Blügel

We analyze the effects of chemical pressure induced by alkali metal substitution and uniaxial strain on magnetism in the A2Cr3As3 (A = Na, K, Rb, Cs) family of ternary arsenides with quasi-one dimensional structure. Within the framework of…

Strongly Correlated Electrons · Physics 2021-06-04 Giuseppe Cuono , Filomena Forte , Alfonso Romano , Xing Ming , Jianlin Luo , Carmine Autieri , Canio Noce

The effects of magnetism on the Bain transformation of $\alpha$-phase FeNi systems are investigated by using the full potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found…

Materials Science · Physics 2015-06-04 Gul Rahman , In Gee Kim , H. K. D. H. Bhadeshia

Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…

Materials Science · Physics 2008-11-07 B. Hardrat , A. Al-Zubi , P. Ferriani , S. Blügel , G. Bihlmayer , S. Heinze

Using the Density Matrix Renormalization Group, we study metallic ferromagnetism in a one-dimensional copper-oxide model which contains one oxygen p-orbital and one copper d-orbital. The parameters for the d-p model can be chosen so that it…

Strongly Correlated Electrons · Physics 2009-10-31 M. Guerrero , R. M. Noack

By means of the density matrix renormalization group (DMRG) method, the magnetic properties of the J-J-J$^{\prime}$ quantum Heisenberg chains with spin $S=1/2$, 1, 3/2 and 2 in the ground states are investigated in the presence of a…

Strongly Correlated Electrons · Physics 2009-11-11 Bo Gu , Gang Su , Song Gao

Topological insulators (TIs) show rich phenomena and functions which can never be realized in ordinary insulators. Most of them come from the peculiar surface or edge states. Especially, the quantized anomalous Hall effect (QAHE) without an…

Mesoscale and Nanoscale Physics · Physics 2015-09-03 Ryohei Wakatsuki , Motohiko Ezawa , Naoto Nagaosa

Periodic nanostructures can display the dynamics of arrays of atoms while enabling the tuning of interactions in ways not normally possible in Nature. We examine one dimensional arrays of a ``synthetic atom,'' a one dimensional ring with a…

Mesoscale and Nanoscale Physics · Physics 2008-08-16 Bahman Roostaei , Kieran Mullen

We investigated the magnetic properties of two isostructural Ni(II) metal complexes [Ni4Lb8] and [Ni4Lc8]. In each molecule the four Ni(II) centers form almost perfect regular squares. Magnetic coupling and anisotropy of single crystals…

Strongly Correlated Electrons · Physics 2009-11-10 R. Koch , O. Waldmann , P. Mueller , U. Reimann , R. W. Saalfrank

We have investigated the relationship between the domain structure and the magnetic interactions in a series of FePt ferromagnetic thin films of varying thickness. As-made films grow in the magnetically soft and chemically disordered A1…

Materials Science · Physics 2014-02-27 N. Álvarez , E. Sallica Leva , R. C. Valente , M. Vásquez Mansilla , J. Gómez , J. Milano , A. Butera

We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…

Strongly Correlated Electrons · Physics 2015-05-01 Levente Rózsa , László Udvardi , László Szunyogh , István A. Szabó

Nd-Fe-B magnets are the most widely used high performance magnets in the world today, and remain the subject of both experimental and computational research aimed at understanding and optimizing them. Atomistic spin dynamics (ASD) is one…

Materials Science · Physics 2026-04-01 Veronica T. C. Lai , Christopher E. Patrick

Two-dimensional (2D) silicides are an emerging class of materials whose magnetic and relativistic properties remain largely unexplored. Using first-principles calculations, we investigate how electric-field modulation and transition-metal…

Materials Science · Physics 2025-12-03 Dimple Rani , Gayatri Panda , Subrata Jana , Prasanjit Samal

Unidomain ferromagnet during the first order phase transition induced by a magnetic field directed along the axis of anisotropy, has been analyzed. It is shown that there is continuous spectrum of stationary states, which depends of…

Materials Science · Physics 2014-01-30 V. Nietz

We study the ground state properties of one-dimensional XXZ model with next-nearest neighbor coupling alpha and anisotropy Delta. We find the direct transition between the ferromagnetic phase and the spontaneously dimerized phase. This is…

Statistical Mechanics · Physics 2009-10-31 Shunsaku Hirata , Kiyohide Nomura

Although ferromagnets are found in all kinds of technological applications, only few substances are known to be intrinsically ferromagnetic at room temperature. In the past twenty years, a plethora of new artificial ferromagnetic materials…

Materials Science · Physics 2021-08-11 Lukas Botsch , Carsten Bundesmann , Daniel Spemann , Pablo D. Esquinazi

The antiferromagnetic (AFM) to ferromagnetic (FM) first order phase transition of an epitaxial FeRh thin-film has been studied with x-ray magnetic circular dichroism using photoemission electron microscopy. The FM phase is magnetized…

Materials Science · Physics 2013-01-18 S. O. Mariager , L. Le Guyader , M. Buzzi , G. Ingold , C. Quitmann

The macroscopic magnetic characterization of the Mn(II) - nitronyl nitroxide free radical chain (Mn(hfac)2(R)-3MLNN) evidenced its transition from a 1-dimensional behavior of ferrimagnetic chains to a 3-dimensional ferromagnetic long range…

Materials Science · Physics 2008-09-12 E. Lhotel , V. Simonet , E. Ressouche , B. Canals , D. B. Amabilino , C. Sporer , D. Luneau , J. Veciana , C. Paulsen

On the basis of density functional calculations, we report on a comprehensive study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic properties for Fe$_2$Ni$_{1+x}$Al$_{1-x}$…