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Magnetic adatoms on surfaces are exchange coupled to their environment, inducing fast relaxation of excited spin states and decoherence. These interactions can be suppressed by inserting decoupling layers between the magnetic adsorbate and…

Mesoscale and Nanoscale Physics · Physics 2022-04-01 Sergey Trishin , Christian Lotze , Nils Bogdanoff , Felix von Oppen , Katharina J. Franke

By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a…

Materials Science · Physics 2009-11-10 B. Lazarovits , B. Ujfalussy , L. Szunyogh , G. M. Stocks , P. Weinberger

We present a detailed study of the ground-state magnetic structure of ultrathin Fe films on the surface of fcc Ir(001). We use the spin-cluster expansion technique in combination with the relativistic disordered local moment scheme to…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 A. Deák , L. Szunyogh , B. Ujfalussy

Controllable magnetization in atomically thin two-dimensional magnets is highly desirable for developing spintronics. For FeSe monolayer, its magnetic ground state is not yet fully understood, and the potential in constructing high-speed…

Materials Science · Physics 2024-11-08 Yueqiao Qu , Yu Liao , Zhixiang Wang , Liang Liu , Gang Yao

The effect of anisotropy in the nearest-neighbor spin interactions that couple $N\geq 2$ consecutive spin-1/2 antiferromagnetic chains is studied theoretically by considering the limit where the coupling is purely of the Ising type. An…

Condensed Matter · Physics 2009-10-30 J. P. Rodriguez , P. D. Sacramento , V. R. Vieira

Understanding the magnetoresistance (MR) of a magnetic material forms the basis for uncovering the orbital mechanisms and charge-spin interactions in the system. Although the parent state of iron-based high-temperature superconductors,…

The Fe(1+x)Sb compound has been synthesized close to stoichiometry with x = 0.023(8). The compound was investigated by 57Fe M\"ossbauer spectroscopy in the temperature range 4.2 - 300 K. The antiferromagnetic ordering temperature was found…

Strongly Correlated Electrons · Physics 2016-01-20 K. Komedera , A. K. Jasek , A. Blachowski , K. Ruebenbauer , A. Krzton-Maziopa

We have used ab initio density functional theory to compute the magnetic ground states of the surface alloy systems FeAu$_2$/Ru(0001) and MnAu$_2$/Ru(0001). For both systems, we find that the lowest energy magnetic configuration corresponds…

Materials Science · Physics 2014-05-12 Sananda Biswas , Gustav Bihlmayer , Shobhana Narasimhan , Stefan Blügel

We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…

Materials Science · Physics 2023-10-31 Ahmed Elrashidy , Jia-An Yan

We present a microscopic model for the anisotropic exchange interactions in Sr$_{2}$IrO$_{4}$. A direct construction of Wannier functions from first-principles calculations proves the $j_{\mathrm{eff}}$=1/2 character of the spin-orbit…

Strongly Correlated Electrons · Physics 2013-05-29 Hosub Jin , Hogyun Jeong , Taisuke Ozaki , Jaejun Yu

In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit…

Superconductivity · Physics 2010-05-19 M. D. Lumsden , A. D. Christianson

We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…

Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…

Materials Science · Physics 2022-10-11 Diem Thi-Xuan Dang , Ranjan Kumar Barik , Manh-Huong Phan , Lilia M. Woods

Even though it has been known for decades that the magnetocrystalline anisotropy is linked to the spin-orbit coupling (SOC), the mechanism how it arises for specific systems is still subject of debate. We focused on finding markers of SOC…

Materials Science · Physics 2016-05-17 Ondrej Sipr , Sergey Mankovsky , Svitlana Polesya , Sven Bornemann , Jan Minar , Hubert Ebert

We theoretically investigate magnetic anisotropy in materials with non-critical elements to determine which symmetry conditions and atomic shell filling favor enhanced magnetic anisotropy. We study the magnetocrystalline anisotropies (MCA)…

Materials Science · Physics 2025-07-08 Nica Jane B. Ferrer , Gregory A. Fiete

Magnetic anisotropy phenomena in bimetallic antiferromagnets Mn$_2$Au and MnIr are studied by first-principles density functional theory calculations. We find strong and lattice-parameter dependent magnetic anisotropies of the ground state…

The magnetic state and magnetic coupling of individual atoms in nanoscale structures relies on a delicate balance between different interactions with the atomic-scale surrounding. Using scanning tunneling microscopy, we resolve the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 T. R. Umbach , M. Bernien , C. F. Hermanns , A. Krüger , V. Sessi , I. Fernandez-Torrente , P. Stoll , J. I. Pascual , K. J. Franke , W. Kuch

We predict that the anti-ferromagnetic (AFM) magnetic structure of delafossite PdCrO$_2$ has a staggered chirality with the double-layer periodicity along the $z$-axis with intriguing magnetic anisotropy. We study the electronic and…

Strongly Correlated Electrons · Physics 2020-01-22 Changhwi Park , Jaejun Yu

The structure, binding energy, magnetic moments and electronic structure of FemIrn clusters are investigated using state of the art density functional theory techniques. Fully unconstrained structural relaxations are undertaken by…

Mesoscale and Nanoscale Physics · Physics 2013-01-23 S. Assa Aravindh

The low-temperature properties of the so-called ''charge ordered'' state in 50% doped perovskite manganites are described from the viewpoint of the magnetic spin ordering. In these systems, the zigzag antiferromagnetic ordering, combined…

Strongly Correlated Electrons · Physics 2007-05-23 I. V. Solovyev