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Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic approach handles th ...
Two isostructural double halide-bridged polymers, consisting of stacked Cu2L2X4 dimers, with L = benzamide (BA) and X = Cl- in CuClBA and X = Br- in CuBrBA, were synthesised. The experimental magnetic data of both compounds were recorded and it was found t ...
The magnetic and structural properties of polycrystalline Co4-xNixNb2O9 (x = 1, 2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT) calculations. For x = 1, the compound ...
The discovery of ferromagnetism in two-dimensional (2D) van der Waals (vdW) crystals has generated widespread interest. Making further progress in this area requires quantitative knowledge of the magnetic properties of vdW magnets at the nanoscale. We used ...
Iron phthalocyanine (FePc) is a molecular semiconductor whose building blocks are 1D ferromagnetic chains. It is shown that its optical and magnetic properties are controlled by the growth strategy, obtaining extremely high coercivities of over 1 T and mod ...
We propose a self-consistent site-dependent Hubbard U approach for density functional theory (DFT)+U calculations of defects in complex transition metal oxides, using Hubbard parameters computed via linear response theory. The formation of a defect locally ...
AMER PHYSICAL SOC2019
Using two cold-neutron triple-axis spectrometers we have succeeded in fully mapping out the field-dependent evolution of the non-reciprocal magnon dispersion relations in all magnetic phases of MnSi. The non-reciprocal nature of the dispersion manifests it ...
AMER INST PHYSICS2018
Double perovskite oxides A(2)BB'O-6 combining 3d and 4d or 5d transition metal ions at the B and B' sites feature a variety of magnetic and magneto-electric properties. Targeting Ba2FeOsO6, we synthesized powder samples of nonstoichiometric Ba2Fe1.12Os0.88 ...
American Chemical Society2017
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Magnonic crystals are interesting for spin-wave based data processing. We investigate one-dimensional magnonic crystals (1D MCs) consisting of bistable Co20Fe60B20 nanostripes separated by 75 nm wide air gaps. By adjusting the magnetic history, we program ...
2018
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We perform on-surface synthesis of single-ion molecular magnets on an Ag(111) surface and characterize their morphology, chemistry, and magnetism. The first molecule we synthesize is TbPc2 to enable comparison with chemically synthesized and subsequently s ...