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Recent experimental realizations of the topological semimetal states in several monolayer systems are very attractive because of their exotic quantum phenomena and technological applications. Based on first-principles density-functional…

Materials Science · Physics 2020-04-15 Liangliang Liu , Chongze Wang , Jiangxu Li , Xing-Qiu Chen , Yu Jia , Jun-Hyung Cho

We compute the nonlinear optical response of an Fe monolayer placed on top of 1 to 4 monolayers of Cu(001). Our calculation is based on ab initio eigenstates of the slab, which are obtained within the full-potential linearized augmented…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Torsten Andersen , W. Huebner

Here we demonstrate that MnTe epitaxial films with zinc-blend structure and MnTe/ZnTe multilayers should show ferroelectric polarization in antiferromagnetically (AFM) ordered state and thus belong to multiferroics. Spontaneous…

Materials Science · Physics 2008-11-14 Helen V. Gomonay , Ievgeniia G. Korniienko

We report on the structural, electronic and magnetic properties of a monolayer of GdAg2, forming a moir\'e pattern on Ag(111). Combining scanning tunneling microscopy and ab-initio spin-polarized calculations, we show that the electronic…

Materials Science · Physics 2017-12-20 Alexander Correa , Bin Xu , Matthieu J. Verstraete , Lucia Vitali

We have studied the magnetic configuration in ultrathin antiferromagnetic Mn films grown around monoatomic steps on an Fe(001) surface by spin-polarized scanning tunneling microscopy/spectroscopy and ab-initio-parametrized self-consistent…

We have investigated the field-induced-changes in both the magnetization and the polarization in ferromagnet/Insulator/ferroelectric (FM/I/FE) multilayer by following both the Stoner-Wohlfarth (SW) model and the Landau theory. It has been…

Materials Science · Physics 2012-01-13 Hui Zhang

The magnetocrystalline anisotropy energy E(anis) of free-standing monolayers and thin films of Fe and Ni is determined using two different semi-empirical schemes. Within a tight-binding calculation for the 3d bands alone, we analyze in…

Condensed Matter · Physics 2009-10-28 A. Lessard , T. H. Moos , W. Huebner

Two different superstructures form when atomic H is incorporated in the Fe monolayer on Ir(111). Depending on the amount of H provided, either a highly ordered p(2x2) hexagonal superstructure or an irregular roughly square structure is…

Mesoscale and Nanoscale Physics · Physics 2019-03-06 Aurore Finco , Pin-Jui Hsu , Kirsten von Bergmann , Roland Wiesendanger

Based on geometry optimization and magnetic structure investigations within density functional theory, unique uranium nitride fluoride UNF, isoelectronic with UO2, is shown to present peculiar differentiated physical properties. Such…

Materials Science · Physics 2018-08-30 Samir F Matar

The aim of this work is to investigate the structural and magnetic characteristics of Fe thin films with a triangular (hexagonal) lattice surfaces (fcc (111) and bcc (111)). The properties of these structures have been calculated using…

Materials Science · Physics 2025-02-17 Jakub Meixner , Justyna Rychły-Gruszecka , Mirosław Werwiński

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

The magnetic properties of thin Pd fcc(001) films with embedded monolayers of Fe are investigated by means of first principles density functional theory. The induced spin polarization in Pd is calculated and analyzed in terms of quantum…

Materials Science · Physics 2016-08-16 Erik Holmström , Lars Nordström , A. M. N. Niklasson

We investigated structural, magnetic and electrical properties of sputter deposited Mn-Fe-Ga compounds. The crystallinity of the Mn-Fe-Ga thin films was confirmed using x-ray diffraction. X-ray reflection and atomic force microscopy…

Materials Science · Physics 2016-08-02 Alessia Niesen , Christian Sterwerf , Manuel Glas , Jan-Michael Schmalhorst , Günter Reiss

Polarized Neutron Reflectometry and magnetometry measurements have been used to obtain a comprehensive picture of the magnetic structure of a series of La{2/3}Sr{1/3}MnO{3}/Pr{2/3}Ca{1/3}MnO{3} (LSMO/PCMO) superlattices, with varying…

Strongly Correlated Electrons · Physics 2009-11-13 D. Niebieskikwiat , L. E. Hueso , J. A. Borchers , N. D. Mathur , M. B. Salamon

We report a study of the structural and magnetic behavior of the topmost magnetic layer in a ferromagnet-nonmagnet (Co-Au) multilayer system. Glancing angle X-ray diffraction measurements performed on a series of multilayers showed a…

Magnetic thin film heterostructures have been widely studied for fundamental interests in the emergence of novel phenomena accompanied by the heterointerface formation as well as their promising practical potential. Combining x-ray magnetic…

We investigate 1, 2, 3, and 4 monolayers of iron grown on the (001) surface of ZnSe using spin density functional theory, plane-wave expansion, and ultrasoft pseudopotentials. An ideal structure of the interface is plausible due to the very…

Other Condensed Matter · Physics 2007-05-23 H. Dobler , D. Strauch

The structure, magnetic properties, and lattice dynamics of ordered Fe-Pt alloys with three stoichiometric compositions, Fe$_3$Pt, FePt and FePt$_3$, have been investigated using the density functional theory. Additionally, the existing…

Materials Science · Physics 2025-01-24 M. Sternik , S. Couet , J. Łażewski , P. T. Jochym , K. Parlinski , A. Vantomme , K. Temst , P. Piekarz

The structure and dynamical properties of the Fe$_3$Si/GaAs(001) interface are investigated by density functional theory and nuclear inelastic scattering measurements. The stability of four different atomic configurations of the…

We have fabricated Fe(N) thin films with varied N2 partial pressure and studied the microstructure, morphology, magnetic properties and resistivity by using X-ray diffraction, atomic force microscopy, transmission electron microscopy,…

Materials Science · Physics 2009-11-10 H. B. Nie , S. Y. Xu , C. K. Ong , Q. Zhan , D. X. Li , J. P. Wang