Atomistic study on the pressure dependence of the melting point of NdFe12

We investigated, using molecular dynamics, how pressure affects the melting point of the recently theorised and epitaxially grown structure NdFe12. We modified Morse potentials using experimental constants and a genetic algorithm code, before running two-phase solid-liquid coexistence simulations of NdFe12 at various temperatures and pressures. The refitting of the Morse potentials allowed us to significantly improve the accuracy in predicting the melting temperature of the constituent elements

All-optical switching in granular ferromagnets caused by magnetic circular dichroism

Magnetic recording using circularly polarised femto-second laser pulses is an emerging technology that would allow write speeds much faster than existing field driven methods. However, the mechanism that drives the magnetisation switching in ferromagnets is unclear. Recent theories suggest that the interaction of the light with the magnetised media induces an opto-magnetic field within the media, known as the inverse Faraday effect. Here we show that an alternative mechanism, driven by thermal excitation over the anisotropy energy barrier and a difference in the energy absorption depending on polarisation, can create a net magnetisation over a series of laser pulses in an ensemble of single domain grains. Only a small difference in the absorption is required to reach magnetisation levels observed experimentally and the model does not preclude the role of the inverse Faraday effect but removes the necessity that the opto-magnetic field is 10 s of Tesla in strength

High energy product in Battenberg structured magnets

PublishedJournal Article© 2014 AIP Publishing LLC. Multiphase nano-structured permanent magnets show a high thermal stability of remanence and a high energy product while the amount of rare-earth elements is reduced. Non-zero temperature micromagnetic simulations show that a temperature coefficient of remanence of -0.073%/K and that an energy product greater than 400 kJ/m3 can be achieved at a temperature of 450 K in a magnet containing around 40 volume percent Fe65Co35 embedded in a hard magnetic matrix

Implementation of Multigene Germline and Parallel Somatic Genetic Testing in Epithelial Ovarian Cancer: SIGNPOST Study

We present findings of a cancer multidisciplinary-team (MDT) coordinated mainstreaming pathway of unselected 5-panel germline BRCA1/BRCA2/RAD51C/RAD51D/BRIP1 and parallel somatic BRCA1/BRCA2 testing in all women with epithelial-OC and highlight the discordance between germline and somatic testing strategies across two cancer centres. Patients were counselled and consented by a cancer MDT member. The uptake of parallel multi-gene germline and somatic testing was 97.7%. Counselling by clinical-nurse-specialist more frequently needed >1 consultation (53.6% (30/56)) compared to a medical (15.0% (21/137)) or surgical oncologist (15.3% (17/110)) (p < 0.001). The median age was 54 (IQR = 51–62) years in germline pathogenic-variant (PV) versus 61 (IQR = 51–71) in BRCA wild-type (p = 0.001). There was no significant difference in distribution of PVs by ethnicity, stage, surgery timing or resection status. A total of 15.5% germline and 7.8% somatic BRCA1/BRCA2 PVs were identified. A total of 2.3% patients had RAD51C/RAD51D/BRIP1 PVs. A total of 11% germline PVs were large-genomic-rearrangements and missed by somatic testing. A total of 20% germline PVs are missed by somatic first BRCA-testing approach and 55.6% germline PVs missed by family history ascertainment. The somatic testing failure rate is higher (23%) for patients undergoing diagnostic biopsies. Our findings favour a prospective parallel somatic and germline panel testing approach as a clinically efficient strategy to maximise variant identification. UK Genomics test-directory criteria should be expanded to include a panel of OC genes

Newtype single-layer magnetic semiconductor in transition-metal dichalcogenides VX 2 (X = S, Se and Te)

We present a newtype 2-dimensional (2D) magnetic semiconductor based on transition-metal dichalcogenides VX2 (X = S, Se and Te) via first-principles calculations. The obtained indirect band gaps of monolayer VS2, VSe2, and VTe2 given from the generalized gradient approximation (GGA) are respectively 0.05, 0.22, and 0.20 eV, all with integer magnetic moments of 1.0 μB. The GGA plus on-site Coulomb interaction U (GGA + U) enhances the exchange splittings and raises the energy gap up to 0.38~0.65 eV. By adopting the GW approximation, we obtain converged G0W0 gaps of 1.3, 1.2, and 0.7 eV for VS2, VSe2, and VTe2 monolayers, respectively. They agree very well with our calculated HSE gaps of 1.1, 1.2, and 0.6 eV, respectively. The gap sizes as well as the metal-insulator transitions are tunable by applying the in-plane strain and/or changing the number of stacking layers. The Monte Carlo simulations illustrate very high Curie-temperatures of 292, 472, and 553 K for VS2, VSe2, and VTe2 monolayers, respectively. They are nearly or well beyond the room temperature. Combining the semiconducting energy gap, the 100% spin polarized valence and conduction bands, the room temperature TC, and the in-plane magnetic anisotropy together in a single layer VX2, this newtype 2D magnetic semiconductor shows great potential in future spintronics

Magnetisation switching of FePt nanoparticle recording medium by femtosecond laser pulses

Manipulation of magnetisation with ultrashort laser pulses is promising for information storage device applications. The dynamics of the magnetisation response depends on the energy transfer from the photons to the spins during the initial laser excitation. A material of special interest for magnetic storage are FePt nanoparticles, for which switching of the magnetisation with optical angular momentum was demonstrated recently. The mechanism remained unclear. Here we investigate experimentally and theoretically the all-optical switching of FePt nanoparticles. We show that the magnetisation switching is a stochastic process. We develop a complete multiscale model which allows us to optimize the number of laser shots needed to switch the magnetisation of high anisotropy FePt nanoparticles in our experiments. We conclude that only angular momentum induced optically by the inverse Faraday effect will provide switching with one single femtosecond laser pulse.EC under Contract No. 281043, FemtoSpin. The work at Greifswald University was supported by the German research foundation (DFG), projects MU MU 1780/8-1, MU 1780/10-1. Research at Göttingen University was supported via SFB 1073, Projects A2 and B1. Research at Uppsala University was supported by the Swedish Research Council (VR), the Röntgen-Ångström Cluster, the Knut and Alice Wallenberg Foundation (Contract No. 2015.0060), and Swedish National Infrastructure for Computing (SNIC). Research at Kiel University was supported by the DFG, projects MC 9/9-2, MC 9/10-2. P.N. acknowledges support from EU Horizon 2020 Framework Programme for Research and Innovation (2014-2020) under Grant Agreement No. 686056, NOVAMAG. The work in Konstanz was supported via the Center for Applied Photonics

Origin of reduced magnetization and domain formation in small magnetite nanoparticles

The structural, chemical, and magnetic properties of magnetite nanoparticles are compared. Aberration corrected scanning transmission electron microscopy reveals the prevalence of antiphase boundaries in nanoparticles that have significantly reduced magnetization, relative to the bulk. Atomistic magnetic modelling of nanoparticles with and without these defects reveals the origin of the reduced moment. Strong antiferromagnetic interactions across antiphase boundaries support multiple magnetic domains even in particles as small as 12–14 nm

First-principles quantum transport modeling of spin-transfer and spin-orbit torques in magnetic multilayers

We review a unified approach for computing: (i) spin-transfer torque in magnetic trilayers like spin-valves and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces; and (ii) spin-orbit torque in magnetic bilayers of the type ferromagnet/spin-orbit-coupled-material, where injected charge current flows parallel to the interface. Our approach requires to construct the torque operator for a given Hamiltonian of the device and the steady-state nonequilibrium density matrix, where the latter is expressed in terms of the nonequilibrium Green's functions and split into three contributions. Tracing these contributions with the torque operator automatically yields field-like and damping-like components of spin-transfer torque or spin-orbit torque vector, which is particularly advantageous for spin-orbit torque where the direction of these components depends on the unknown-in-advance orientation of the current-driven nonequilibrium spin density in the presence of spin-orbit coupling. We provide illustrative examples by computing spin-transfer torque in a one-dimensional toy model of a magnetic tunnel junction and realistic Co/Cu/Co spin-valve, both of which are described by first-principles Hamiltonians obtained from noncollinear density functional theory calculations; as well as spin-orbit torque in a ferromagnetic layer described by a tight-binding Hamiltonian which includes spin-orbit proximity effect within ferromagnetic monolayers assumed to be generated by the adjacent monolayer transition metal dichalcogenide.Comment: 22 pages, 9 figures, PDFLaTeX; prepared for Springer Handbook of Materials Modeling, Volume 2 Applications: Current and Emerging Material

Ultrafast antiferromagnetic switching of Mn<inf>2</inf>Au with laser-induced optical torques

Acknowledgements: The authors acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie International Training Network COMRAD (grant agreement No 861300). The atomistic simulations were undertaken on the VIKING cluster, which is a high performance compute facility provided by the University of York. F.F. and Y.M. acknowledge the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) − TRR 173/2 − 268565370 (project A11) and Sino-German research project DISTOMAT (MO 1731/10-1) of the DFG. The work of O.C.-F. has been supported by DFG via CRC/TRR 227, project ID 328545488 (Project MF).AbstractUltrafast manipulation of the Néel vector in metallic antiferromagnets most commonly occurs by generation of spin-orbit (SOT) or spin-transfer (STT) torques. Here, we predict another possibility for antiferromagnetic domain switching by using novel laser optical torques (LOTs). We present results of atomistic spin dynamics simulations from the application of LOTs for all-optical switching of the Néel vector in the antiferromagnet Mn2Au. The driving mechanism takes advantage of the sizeable exchange enhancement, characteristic of antiferromagnetic dynamics, allowing for picosecond 90 and 180-degree precessional toggle switching of the Néel vector with laser fluences on the order of mJ/cm2. A special symmetry of these novel torques greatly minimises the over-shooting effect common to precessional spin switching by SOT and STT methods. We demonstrate the opportunity for LOTs to produce deterministic, non-toggle switching of single antiferromagnetic domains. Lastly, we show that even with sizeable ultrafast heating by laser in metallic systems, there exist a large interval of laser parameters where the LOT-assisted toggle and preferential switchings in magnetic grains have probabilities close to one. The proposed protocol could be used on its own for all-optical control of antiferromagnets for computing or memory storage, or in combination with other switching methods to lower energy barriers and/or to prevent over-shooting of the Néel vector.</jats:p