Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study

With a view to the design of hard magnets without rare earths we explore the possibility of large magnetocrystalline anisotropy energies in Heusler compounds that are unstable with respect to a tetragonal distortion. We consider the Heusler compounds Fe$_2$YZ with Y = (Ni, Co, Pt), and Co$_2$YZ with Y = (Ni, Fe, Pt) where, in both cases, Z = (Al, Ga, Ge, In, Sn). We find that for the Co$_2$NiZ, Co$_2$PtZ, and Fe$_2$PtZ families the cubic phase is always, at $T=0$, unstable with respect to a tetragonal distortion, while, in contrast, for the Fe$_2$NiZ and Fe$_2$CoZ families this is the case for only 2 compounds -- Fe$_2$CoGe and Fe$_2$CoSn. For all compounds in which a tetragonal distortion occurs we calculate the MAE finding remarkably large values for the Pt containing Heuslers, but also large values for a number of the other compounds (e.g. Co$_2$NiGa has an MAE of -2.11~MJ/m$^3$). The tendency to a tetragonal distortion we find to be strongly correlated with a high density of states at the Fermi level in the cubic phase. As a corollary to this fact we observe that upon doping compounds for which the cubic structure is stable such that the Fermi level enters a region of high DOS, a tetragonal distortion is induced and a correspondingly large value of the MAE is then observed.Comment: 8 pages, 5 figure

Persistence of characteristics of an ordered flux line lattice above the second peak in Bi2Sr2CaCu2O8+δBi_2Sr_2CaCu_2O_{8+ \delta}

We report Small Angle Neutron Scattering measurements of the flux lines lattice (FLL) in $Bi_2Sr_2CaCu_2O_{8+ \delta}$. As previously reported, the scattered intensity decreases strongly when the magnetic field is increased, but it remains measurable far above the second peak. The direct observation of Bragg peaks proves that the characteristics of a lattice are still present. No structural features related to a symmetry breaking, such as a liquid like or an amorphous state, can be observed. However, the associated scattered intensity is very low and is difficult to explain. We discuss the coexistence between two FLL states as a possible interpretation.Comment: accepted for publication in Phys Rev

Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals

Spatial and time scales of spin density fluctuations (SDF) were analyzed in 3d ferromagnets using ab initio linear response calculations of complete wavevector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate that SDF are spread continuously over the entire Brillouin zone and while majority of them reside within the 3d bandwidth, a significant amount comes from much higher energies. A validity of the adiabatic approximation in spin dynamics is discussed. The SDF spectrum is shown to have two main constituents: a minor low-energy spin wave contribution and a much larger high-energy component from more localized excitations. Using the fluctuation-dissipation theorem (FDT), the on-site spin correlator (SC) and the related effective fluctuating moment were properly evaluated and their universal dependence on the 3d band population is further discussed

Tamoxifen, 17beta-oestradiol and the calmodulin antagonist J8 inhibit human melanoma cell invasion through fibronectin.

Invasion through stromal extracellular matrix (ECM) is part of the complex, multistep process of tumour cell invasion and metastasis. Our group has previously demonstrated that calcium and calmodulin are important in another step in the metastatic cascade - that of attachment of cells to ECM. Interestingly, the non-steroidal anti-oestrogen tamoxifen (which also has calmodulin antagonist activity), used in the treatment of breast cancer and now in metastatic cutaneous melanoma, can inhibit the attachment of normal and neoplastic cells to ECM. In this study, we investigated whether such drugs, known to inhibit cell attachment, could also subsequently reduce their invasion through a layer of human fibronectin. We examined the ability of the specific calmodulin antagonist J8, tamoxifen and its two major metabolites, N-desmethyltamoxifen (N-des) and 4-hydroxytamoxifen (4-OH), as well as the pure anti-oestrogen ICI 182,780 and 17beta-oestradiol to inhibit invasion of the human cutaneous melanoma cell line, A375-SM, uveal melanoma cells and uveal melanocytes. A375-SM cells and uveal melanoma cells showed a high level of invasion (15.2% and 33.7% respectively) compared with melanocytes (around 5%) under the experimental conditions used. Submicromolar concentrations of N-des, tamoxifen, J8 and 17beta-oestradiol significantly reduced the invasiveness of the A375-SM cell line. The uveal melanoma cells also showed similar inhibition, although at higher concentrations of these agents. 4-OH and ICI 182, 780 had little or no effect on invasion of A375-SM cells (these were not tested on uveal melanoma cells). All cells used in this study were found to be negative for type I nuclear oestrogen receptors, reinforcing the possibility that tamoxifen and 17beta-oestradiol can act via mechanisms unrelated to binding to classical oestrogen receptors to inhibit tumour cell invasion

Ab initio study of ultrafast spin dynamics in Gd_x(FeCo)_1−x alloys

Using an ultrashort laser pulse, we explore ab initio the spin dynamics of Gdx(FeCo)1-x at femtosecond time scales. Optical excitations are found to drive charges from Fe majority d-states to unoccupied Gd f-minority states with f-electron character excited occupation lagging behind that of the d-electron character, leading to substantial demagnetization of both species while leaving the global moment almost unchanged. For x > 0.33, this results in the creation of an ultrafast ferromagnetic (FM) transient by the end of the laser pulse with the Gd demagnetization rate slower than that of Fe. For all concentrations, the Gd moments begin to rotate from their ground state orientations developing in-plane moments of between 0.2 and 0.5 μB. Thus, the ultrafast spin dynamics of the material captures three important ingredients of all optical switching that occurs at much later (picosecond) times: (i) the development of a FM transient, (ii) the different rates of demagnetization of Fe and Gd, and (iii) the breaking of the collinear symmetry of the ground state. Furthermore, several predictions are made about the behavior of Fe-Gd alloys that can be experimentally tested and can lead to a spin-filtering device

Direct observation of the flux-line vortex glass phase in a type II superconductor

The order of the vortex state in La_{1.9} Sr_{0.1} CuO_{4} is probed using muon spin rotation and small-angle neutron scattering. A transition from a Bragg glass to a vortex glass is observed, where the latter is composed of disordered vortex lines. In the vicinity of the transition the microscopic behavior reflects a delicate interplay of thermally-induced and pinning-induced disorder.Comment: 14 pages, 4 colour figures include

Accurate screened exchange band structures for transition metal monoxides MnO, FeO, CoO and NiO

We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA. Late transition metal oxides are prototypical examples of strongly correlated materials, which pose challenges for electronic structure methods. We compare our results with available experimental data and show that our calculations yield accurate predictions for the fundamental band gaps and valence bands of FeO, CoO and NiO. For MnO, the band gaps are underestimated, suggesting additional many-body effects that are not captured by our screened hybrid functional approach.Comment: 9 pages, 3 figures, 3 table

Probing fractal magnetic domains on multiple length scales in Nd2Fe14B

Using small-angle neutron scattering, we demonstrate that the complex magnetic domain patterns at the surface of Nd2Fe14B, revealed by quantitative Kerr and Faraday microscopy, propagate into the bulk and exhibit structural features with dimensions down to 6 nm, the domain wall thickness. The observed fractal nature of the domain structures provides an explanation for the anomalous increase in the bulk magnetization of Nd2Fe14B below the spin-reorientation transition. These measurements open up a rich playground for studies of fractal structures in highly anisotropic magnetic systems.Comment: Accepted for publication in Phys. Rev. Lett. (4 pages, 4 figures

Muons as Local Probes of Three-body Correlations in the Mixed State of Type-II Superconductors

The vortex glass state formed by magnetic flux lines in a type-II superconductor is shown to possess non-trivial three-body correlations. While such correlations are usually difficult to measure in glassy systems, the magnetic fields associated with the flux vortices allow us to probe these via muon-spin rotation measurements of the local field distribution. We show via numerical simulations and analytic calculations that these observations provide detailed microscopic insight into the local order of the vortex glass and more generally validate a theoretical framework for correlations in glassy systems.Comment: 4+ pages, high-quality figures available on reques