Abstract Spin cross-over molecules show the unique ability to switch between two spin states when submitted external stimuli such as temperature, light or voltage. If controlled at molecular scale, switches would be of great interest for development genuine devices in spintronics, sensing and nanomechanics. Unfortunately, up now, little is known on behaviour organized dimensions their cooperative transformation. Here we demonstrate that a combination scanning tunnelling microscopy...

We demonstrate that a ${\mathrm{C}}_{60}$ overlayer enhances the perpendicular magnetic anisotropy of Co thin film, inducing an inverse spin reorientation transition from in plane to out plane. The driving force is ${\mathrm{C}}_{60}/\mathrm{Co}$ interfacial we have measured quantitatively situ as function coverage. Comparison with state-of-the-art ab initio calculations show this mainly arises local hybridization between ${p}_{z}$ and ${d}_{{z}^{2}}$ orbitals. By generalizing these...

Abstract Key spin transport phenomena, including magnetoresistance and transfer torque, cannot be activated without spin-polarized currents, in which one electron is dominant. At the nanoscale, relevant length-scale for modern spintronics, current generation rather limited due to unwanted contributions from poorly frontier states ferromagnetic electrodes, or too short length-scales efficient splitting by spin-orbit interaction magnetic fields. Here, we show that currents can generated...

We report tight-binding and density functional theory calculations of magnetocrystalline anisotropy energy (MAE) free Fe (body-centered-cubic) Co (face-centered-cubic) slabs nanocrystals. The nanocrystals are truncated square pyramids which can be grown experimentally by deposition metal on a ${\mathrm{SrTiO}}_{3}$(001) substrate. For both elements our local analysis shows that the total MAE is largely dominated contribution $(001)$ facets. However, while easy axis $\mathrm{Fe}(001)$...

Magnetic skyrmions─localized chiral spin structures─show great promise for spintronic applications. The recent discovery of two-dimensional (2D) magnets opened new opportunities topological structures in atomically thin van der Waals (vdW) materials. Despite progress stabilizing metastable skyrmions 2D magnets, their lifetime, essential applications, has not been explored yet. Here, using first-principles calculations and atomistic simulations, we predict that compressive strain leads to...

Control and manipulation of electric current and, especially, its degree spin polarization (spin filtering) across single molecules are currently great interest in the field molecular spintronics. We explore one possible strategy based on modification nanojunction symmetry which can be realized, for example, by a mechanical strain. Such activate new orbitals were inactive before due to their orbital mismatch with electrode's conduction states. This result several important consequences such...

A major challenge for magnetic skyrmions in atomically thin van der Waals (vdW) materials is reliable skyrmion detection. Here, based on rigorous first-principles calculations, we show that all-electrical detection feasible two-dimensional vdW magnets via scanning tunneling microscopy (STM) and planar tunnel junctions. We use the nonequilibrium Green's function method quantum transport junctions, including self-energy due to electrodes working conditions, going beyond standard Tersoff–Hamann...

Hydroxyapatite (HA) is a commonly used biomaterial in bone-tissue engineering, but pure HA deficient osteoinduction. In this study, we fabricated scaffolds of lithium-doped (Li-HA) and assess the bone generation enhancement Li-HA seeded with hypoxia-preconditioned bone-marrow mesenchymal stem cells (BMMSCs). We found that 1.5%Li-HA obtained optimal cell proliferation activity vitro. an vivo Li-HA/BMSCs enhanced new formation, reducing GSK-3β increasing β-catenin, angiogenic effect was not...

We investigate the impact of mechanical strain, stacking order, and external electric fields on magnetic interactions a two-dimensional (2D) van der Waals heterostructure in which 2D ferromagnetic metallic ${\mathrm{Fe}}_{3}{\mathrm{GeTe}}_{2}$ monolayer is deposited germanene. Three distinct computational approaches based ab initio methods are used, (i) Green's function method, (ii) generalized Bloch theorem, (iii) supercell approach, careful comparison given. First, shell-resolved exchange...

We report tight-binding (TB) calculations of magnetocrystalline anisotropy energy (MAE) iron slabs and nanoclusters with a particular focus on local analysis. After clarifying various concepts formulations for the determination MAE, we apply our realistic TB model to analysis magnetic $\mathrm{Fe}(001)$, $\mathrm{Fe}(110)$ two large Fe clusters $(001)$ $(110)$ facets only: truncated pyramid bipyramid containing 620 1096 atoms, respectively. It is shown that MAE originates mainly from outer...

Using first-principles calculations and atomistic spin simulations, we predict stable isolated skyrmions with a diameter below 10 nm in monolayer of the two-dimensional van der Waals ferromagnet Fe$_5$GeTe$_2$, material significant experimental interest. A very large Dzyaloshinskii-Moriya interaction (DMI) is observed due to intrinsic broken inversion symmetry strong spin-orbit coupling for Fe$_5$GeTe$_2$. We show that nearest-neighbor approximation, often used literature, fails describe...

U-Net and its variants have been widely used in the field of image segmentation. In this paper, a lightweight multi-scale Ghost (MSGU-Net) network architecture is proposed. This can efficiently quickly process segmentation tasks while generating high-quality object masks for each object. The pyramid structure (SPP-Inception) module ghost are seamlessly integrated manner. Equipped with an efficient local attention (ELA) mechanism gate mechanism, they designed to accurately identify region...

To compare the performance of high-resolution microperimetry testing against standard automated perimetry (SAP) for detecting glaucomatous damage seen on optical coherence tomography (OCT) scans. 250 eyes from 200 individuals underwent a hemifield using stimulus pattern optimised to sample typical arcuate patterns visual field loss in glaucoma. SAP was performed 24-2 pattern. The presence each subsequently independently assessed by two graders based circumpapillary OCT circle scan, 6×6 mm...

The understanding of orbital hybridization and spin-polarization at the organic-ferromagnetic interface is essential in search for efficient hybrid spintronic devices. Here, using first-principles calculations, we report a systematic study spin-split states C$_{60}$ deposited on various ferromagnetic surfaces: bcc-Cr(001), bcc-Fe(001), bcc-Co(001), fcc-Co(001) hcp-Co(0001). We show that adsorption geometry molecule with respect to surface crystallographic orientation magnetic substrate as...

The electric field is an important parameter to vary in a single-molecule experiment, because it can directly affect the charge distribution around molecule. Yet, performing such experiment with well-defined for model chemical reaction at interface has proven be extremely difficult. Here, by combining graphene field-effect transistor and gate-tunable scanning tunneling microscope (STM), we reveal how this strategy enables intramolecular H atom transfer of metal-free macrocycle controlled...

Abstract Herein, the grown‐into‐glass (GIG) CsPbBr 3 :Ln 3+ (Ln = La, Lu) nanocrystals (NCs) are designed and fabricated using an in situ nanocrystallization method. It is shown that a substitution of Pb 2+ sites with Ln ions leads to blueshift emission position induced by increase bandgap . Additionally, GIG‐samples found feature excellent photoluminescent (PL) properties after being immersed respectively water for 300 days at room temperature, boiling 12 h, corrosive environments 24 as...

Obtaining highly spin-polarized currents in molecular junctions is crucial and desirable for nanoscale spintronics devices. Motivated by our recent symmetry-based theoretical argument complete blocking of one spin conductance channel atomic-scale [A. Smogunov Y. J. Dappe, Nano Lett. 15, 3552 (2015)], we explore the generality proposed mechanism degree achieved current various ferromagnetic electrodes (Ni, Co, Fe) two different molecules, quaterthiophene p-quaterphenyl. A simple analysis...

The recent discovery of magnetic ordering in two-dimensional (2D) offers unprecedented opportunities to explore novel physics and device concepts vdW tunnel junctions (MTJs). Here, using ab initio quantum transport calculations, we investigate the spin-dependent electronic across MTJs composed Ni(111) electrodes a graphene or graphene/Fe3GeTe2/graphene spacer layer. We find that relative orientations Ni Fe3GeTe2 can dramatically affect junction's low-bias properties. Interestingly, junction...

In this work, we present a detailed theoretical investigation of the electronic and magnetic properties ferromagnetic slabs clusters deposited on SrTiO$\_3$ via first-principles, with particular emphasis magneto-crystalline anisotropy (MCA). We found that in case Fe films effect interface is to quench MCA whereas for Cobalt observe change sign from in-plane out-of-plane as compared free surface. also find strong enhancement small upon deposition substrate. The hybridization between substrate...

The spin transport across a zero-dimensional (0D) single-molecule sandwiched by two-dimensional (2D) van der Waals (vdW) ferromagnetic electrodes may open vast opportunities to create novel mixed-dimensional spintronics devices. However, this remains unexplored yet. Inspired the recent discovery of 2D intrinsic ferromagnets Fe3GeTe2, using first-principles calculations, we show that junctions based on Fe3GeTe2 can yield perfect filtering and significant magnetoresistance (MR) up ∼6075%. This...

We demonstrate, based on low-temperature scanning tunneling microscopy (STM) and spectroscopy, a pronounced negative differential resistance (NDR) in spin-crossover (SCO) molecular devices, where FeII SCO molecule is deposited surfaces. The STM measurements reveal that the NDR robust with respect to substrate materials, temperature, number of layers. This indicates intrinsically related electronic structure molecule. Experimental results are supported by density functional theory (DFT)...

The effect of the in-backbone presence charge-assisted hydrogen bonds (CAHBs) in conductance single-molecule junctions has been studied by scanning tunneling microscope break junction technique. In particular, two amidinium–carboxylate supramolecular complexes different lengths have tested. We observed that ionic character gives extra stability to CAHB is a hindrance toward electron transport through complexes. Theoretical calculations using DFT + Σ method indicate both highest occupied...