Related papers: Structurally-driven magnetic state transition of b…
We present the results of an investigation of both the magnetic and structural phase transitions in a high quality single crystalline sample of the undoped, iron pnictide compound BaFe$_2$As$_2$. Both phase transitions are characterized via…
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…
It is found that all the zigzag chains except the nonmagnetic (NM) Ni and antiferromagnetic (AF) Fe chains which form a twisted two-legger ladder, look like a corner-sharing triangle ribbon, and have a lower total energy than the…
Controlling mesoscale and nanoscale material structures and properties through self-organized atomic behavior is essential for atomic-scale manufacturing. However, direct and visual studies on the cross-scale effects of such atomic…
We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe$_{1+y}$Se% $_x$Te$_{1-x}$. Fe$_{1.068}$Te exhibits a first order phase transition near 67 K with…
We present a comprehensive study on the magnetization reversal in Fe/NiFe bilayer system by alternating the order of the magnetic layers. All the samples show growth-induced uniaxial magnetic anisotropy due to oblique angle deposition…
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…
Magnetisation dynamics in exchange spring magnets have been studied using simulations of the FePt/Fe bilayer system. The FePt hard layer exhibits strong perpendicular magnetocrystalline anisotropy, while the soft (Fe) layer has negligible…
Structures and magnetic properties of Fe16-xCoxN2 are studied using adaptive genetic algorithm and first-principles calculations. We show that substituting Fe by Co in Fe16N2 with Co/Fe ratio smaller than 1 can greatly improve the magnetic…
The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic…
We report the results of a systematic investigation of the phase diagram of the iron-based superconductor system, Ba1-xNaxFe2As2, from x = 0.1 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. We…
We have analyzed the magnetic interactions of a five orbital model for iron superconductors treated both within Hartree-Fock and Heisenberg approximations. We have found that the exchange constants depend non-trivially on the Fe-As-Fe angle…
Elastic neutron scattering is used to study the spin correlations in the multiferroic $\rm Mn_{1-x}Fe_{x}WO_4$ with $x=0.035, 0.05$ and 0.10. The noncollinear, incommensurate (ICM) magnetic structure associated with the ferroelectric (FE)…
We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…
We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…
Two-dimensional (2D) magnetic materials have predominantly exhibited easy-axis or easy-plane anisotropy and display a high sensitivity to the underlying crystal structure and lattice symmetry. Recently, an in-plane anisotropic 2D…
Frustrated antiferromagnets offer a captivating platform to study the intricate relationship of magnetic interactions, geometric constraints, and emergent phenomena. By controlling spin orientations, these materials can be tailored for…
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…
Electronic and magnetic structures of iron selenide compounds Ce2O2FeSe2 (2212\ast) and BaFe2Se3(123\ast) are studied by the first-principles calculations. We find that while all these compounds are composed of one-dimensional (1D) Fe chain…
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…