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Single magnetic atoms or molecules with large single-ion magnetic anisotropy are highly desired for future applications in high-density data storage and quantum computation. Here we have synthesized an Fe-porphyrin complex on Au(111)…

Mesoscale and Nanoscale Physics · Physics 2017-07-19 Bing Liu , Huixia Fu , Jiaqi Guan , Bin Shao , Sheng Meng , Jiandong Guo , Weihua Wang

In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It combines analytical expressions for the first-order derivative…

Mesoscale and Nanoscale Physics · Physics 2013-11-12 Marius Bürkle , Janne K. Viljas , Thomas J. Hellmuth , Elke Scheer , Florian Weigend , Gerd Schön , Fabian Pauly

We report the electronic structure and magnetic ordering of the single molecule magnet [Mn$_{10}$O$_{4}$(2,2'-biphenoxide)$_{4}$Br$_{12}$]$^{4-}$ based on first-principles all-electron density-functional calculations. We find that two of…

Materials Science · Physics 2009-11-07 Jens Kortus , Tunna Baruah , N. Bernstein , Mark R. Pederson

We address the problem of electronic and nuclear spin resonance of an individual atom on a surface driven by a scanning tunnelling microscope. Several mechanisms have been proposed so far, some of them based on the modulation of exchange…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Alejandro Ferrón , Santiago A. Rodríguez , Sergio S. Gómez , Jose L. Lado , Joaquín Fernández-Rossier

Spin-polarized transport through bistable magnetic adatoms or single-molecule magnets (SMMs), which exhibit both uniaxial and transverse magnetic anisotropy, is considered theoretically. The main focus is on the impact of transverse…

Mesoscale and Nanoscale Physics · Physics 2014-07-22 Maciej Misiorny , Józef Barnaś

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

We present a new mechanism for a spin blockade effect associated with a change in the type of magnetic anisotropy over oxidation state in a single molecule transistor, by taking an example of an individual Eu$_{2}$(C$_{8}$H$_{8}$)$_{3}$…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Guangpu Luo , Kyungwha Park

We study the effect of magnetic anisotropy in a single electron transistor with ferromagnetic electrodes and a non-magnetic island. We identify the variation $\delta \mu$ of the chemical potential of the electrodes as a function of the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 J. Fernandez-Rossier , R. Aguado , L. Brey

Magnetocrystalline anisotropy is a fundamental property of magnetic materials that determines the dynamics of magnetic precession, the frequency of spin waves, the thermal stability of magnetic domains, and the efficiency of spintronic…

The subject of this study is spin transport through a molecular orbital connected to two leads, and coupled via exchange interaction with a precessing anisotropic molecular spin in a constant magnetic field. The inelastic spin-flip…

Mesoscale and Nanoscale Physics · Physics 2025-10-02 Milena Filipović

Anisotropic low-temperature properties of the cubic spinel helimagnet ZnCr2Se4 in the single-domain spin-spiral state are investigated by a combination of neutron scattering, thermal conductivity, ultrasound velocity, and dilatometry…

We have constructed an analytic formula to treat the perpendicular magnetic anisotropy energy in ferromagnetic metals with low symmetry, such as C4V and C3V. We find that the anisotropy energy is proportional to a part of the expectation…

Materials Science · Physics 2019-03-27 Yoshishige Suzuki , Shinji Miwa

We present a phenomenological scheme to study the size-dependent electric voltage-controlled magnetic anisotropy in ferromagnetic (FM)/ferroelectric (FE) heterostructures. The FM layers are either metallic Fe(001), Ni(001), Co(0001), or…

Materials Science · Physics 2015-05-20 Jia-Mian Hu , Ce-Wen Nan , Long-Qing Chen

We study the effects of the exchange interaction between an adsorbed magnetic atom with easy-axis magnetic anisotropy and the conduction-band electrons from the substrate. We model the system using an anisotropic Kondo model and we compute…

Mesoscale and Nanoscale Physics · Physics 2010-08-10 Rok Zitko , Thomas Pruschke

From density-functional-theory (DFT) based methods we calculate the vibrational spectrum of the Mn_{12}O_{12}(COOH)_{16}(H_2 O)_4 molecular magnet. Calculated infrared intensities are in accord with experimental studies. There have been no…

Materials Science · Physics 2009-11-07 Mark R. Pederson , Noam Bernstein , Jens Kortus

We investigate the dynamics of Fe adatoms and dimers deposited on the Cu(111) metallic surface in the presence of spin-orbit coupling, within time-dependent density functional theory. The \textit{ab initio} results provide…

Mesoscale and Nanoscale Physics · Physics 2017-10-03 Filipe S. M. Guimarães , Manuel dos Santos Dias , Benedikt Schweflinghaus , Samir Lounis

Anisotropic magnetic and electronic transport measurements were carried out on large single crystals of Fe1-xCoxSb2 (0<= x <=1). The semiconducting state of FeSb2 evolves into metallic and weakly ferromagnetic by substitution of Fe with Co…

Strongly Correlated Electrons · Physics 2009-11-13 Rongwei Hu , V. F. Mitrovic , C. Petrovic

Single-ion magnetic anisotropy in molecular magnets leads to spin flip excitations that can be measured by inelastic scanning tunneling microscope (STM) spectroscopy. Here I present a semi ab initio scheme to compute the spectral features…

Mesoscale and Nanoscale Physics · Physics 2018-08-16 David Jacob

We present a study of the control of electric field induced strain on the magnetic and electrical transport properties in a magneto-elastically coupled artificial multiferroic Fe3O4/BaTiO3 heterostructure. In this Fe3O4/BaTiO3…

Single-crystal synchrotron x-ray diffraction studies of CeFeAsO reveal strong anisotropy in the charge correlation lengths along or perpendicular to the in-plane antiferromagnetic (AFM) wave-vector at low temperatures, indicating an…

Superconductivity · Physics 2014-07-08 H. -F. Li , J. -Q. Yan , J. W. Kim , R. W. McCallum , T. A. Lograsso , D. Vaknin