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We use first-principles calculations based on density functional theory to investigate the magnetic exchange interaction of Fe clusters on Rh(111) and Ru(0001). We consider dimers, trimers, tetramers, and pentamers of different shape in fcc…

Mesoscale and Nanoscale Physics · Physics 2013-12-13 F. Otte , P. Ferriani , S. Heinze

We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…

Materials Science · Physics 2014-05-06 E. Simon , K. Palotás , B. Ujfalussy , A. Deák , G. M. Stocks , L. Szunyogh

We use first-principles calculations based on density functional theory to study how the magnetic properties of an Fe monolayer on a W(001) surface -- exhibiting a $c(2 \times 2)$ antiferromagnetic ground state -- can be modified by an…

Materials Science · Physics 2021-09-22 Nanning Petersen , Sebastian Meyer , Stefan Heinze

We present a systematic study of higher-order exchange interactions beyond the pair-wise Heisenberg exchange in transition-metal trilayers based on density functional theory calculations. We show that these terms can play an important role…

Materials Science · Physics 2021-07-21 Mara Gutzeit , Soumyajyoti Haldar , Sebastian Meyer , Stefan Heinze

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

$Fe_3O_4$ is a mixed-valence strongly correlated transition metal oxide which displays the intriguing metal to insulator Verwey transition. Here we investigate the electronic and magnetic structure of $Fe_3O_4$ by a unique combination of…

Strongly Correlated Electrons · Physics 2018-11-13 H. Elnaggar , R. Wang , S. Lafuerza , E. Paris , A. C. Komarek , H. Guo , Y. Tseng , D. McNally , F. Frati , M. W. Haverkort , M. Sikora , T. Schmitt , F. M. F. de Groot

Spectra of x-ray absorption and magnetic circular dichroism were measured at M4,5(3d) and L2,3(2p) edges of Ce in multilayers [Ce(1-x)Six/Fe]xn, with x between 0.1 and 0.65. The study uncovers the highly correlated nature of this layered…

Strongly Correlated Electrons · Physics 2024-11-28 M. Münzenberg , W. Felsch , P. Schaaf

Skyrmions having topologically protected field configurations with particle-like properties play an important role in {\bl{various fields of science}}. Our present study focus on the generation of skyrmion from spin spiral in the magnetic…

Materials Science · Physics 2024-12-23 Banasree Sadhukhan

The occurrence of a noncollinear magnetic structure at a Mn monolayer grown epitaxially on Fe(100) is predicted theoretically, using spinor density-functional theory, and observed experimentally, using x-ray magnetic circular dichroism…

Motivated by a recent experimental observation of a complex magnetic structure [Takada et al. 2013 J. Magn. Magn. Mater. 329 95] we present a theoretical study of the magnetic structure of an Fe monolayer deposited on Rh(001). We use a…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 A. Deák , K. Palotás , L. Szunyogh , I. A. Szabó

Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF$_4$…

Materials Science · Physics 2024-06-19 Marko Milivojević , Marko Orozović , Silvia Picozzi , Martin Gmitra , Srdjan Stavrić

Using density functional theory, we investigate the interplay between the stacking order and sequence of bilayers composed of an Fe and a Rh layer on the Re(0001) and their magnetic properties. We find that fcc/ffc stacked bilayers are…

Mesoscale and Nanoscale Physics · Physics 2020-03-18 Souvik Paul , Stefan Heinze

We present results of density-functional calculations on the magnetic properties of Cr, Mn, Fe and Co nano-clusters (1 to 9 atoms large) supported on Cu(001) and Cu(111). The inter-atomic exchange coupling is found to depend on competing…

Materials Science · Physics 2015-05-14 Phivos Mavropoulos , Samir Lounis , Stefan Blügel

Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh/Fe atomic bilayers on Ir(111). We find that higher-order exchange…

Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…

Materials Science · Physics 2009-10-31 M. Sifkovits , H. Smolinski , S. Hellwig , W. Weber

Spin- and angle-resolved resonant (Ce $4d\to4f$) photoemission spectra of a monolayer Ce on Fe(110) reveal spin-dependent changes of the Fermi-level peak intensities. That indicate a spin-dependence of $4f$ hybridization and, thus, of $4f$…

Strongly Correlated Electrons · Physics 2007-05-23 Yu. S. Dedkov , M. Fonin , Yu. Kucherenko , S. L. Molodtsov , U. Rüdiger , C. Laubschat

We present results of first-principles calculations of the magnetic properties of Fe chains deposited on the Re(0001) surface. By increasing the length of the chain, a transition is found from an almost collinear antiferromagnetic state for…

Mesoscale and Nanoscale Physics · Physics 2019-05-31 András Lászlóffy , Levente Rózsa , Krisztián Palotás , László Udvardi , László Szunyogh

We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density…

Materials Science · Physics 2015-06-04 S. Bornemann , O. Šipr , S. Mankovsky , S. Polesya , J. B. Staunton , W. Wurth , H. Ebert , J. Minár

Employing $\textit{ab-initio}$ density functional theory (DFT), we performed a systematic investigation of the electronic structures and the magnetic properties of atomic bilayers composed of a 4$d$ transition-metal layer (Rh, Pd and Ru)…

Materials Science · Physics 2023-12-08 Souvik Paul , Stefan Heinze

Using spin-polarized scanning tunneling microscopy and density functional theory, we have studied the magnetic properties of Pd/Fe atomic bilayers on Re(0001). Two kinds of magnetic ground states are discovered due to different types of…

Mesoscale and Nanoscale Physics · Physics 2020-12-30 W. Li , S. Paul , K. von Bergmann , S. Heinze , R. Wiesendanger
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