Electronic Instability in a Zero-Gap Semiconductor: The Charge-DensityWave in (TaSe4)(2)I

We report a comprehensive study of the paradigmatic quasi-1D compound (TaSe4)(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the charge-density wave formation below T-CDW = 263 K, where the incommensurability is a direct consequence of the finite interchain coupling. The formation of small polarons, strongly suggested by the ARPES data, explains the puzzling semiconductor-to-semiconductor transition observed in transport at T-CDW.open114sciescopu

Giant Anisotropic Magneto-Resistance in ferromagnetic atomic contacts

Magneto-resistance is a physical effect of great fundamental and industrial interest since it is the basis for the magnetic field sensors used in computer read-heads and Magnetic Random Access Memories. As device dimensions are reduced, some important physical length scales for magnetism and electrical transport will soon be attained. Ultimately, there is a strong need to know if the physical phenomena responsible for magneto-resistance still hold at the atomic scale. Here, we show that the anisotropy of magneto-resistance is greatly enhanced in atomic size constrictions. We explain this physical effect by a change in the electronic density of states in the junction when the magnetization is rotated, as supported by our ab-initio calculations. This stems from the "spin-orbit coupling" mechanism linking the shape of the orbitals with the spin direction. This sensitively affects the conductance of atomic contacts which is determined by the overlap of the valence orbitals.Comment: latex AAMR.tex, 6 files, 5 figures, 4 pages (http://www-drecam.cea.fr/spec/articles/S06/011

Trivial topological phase of CaAgP and the topological nodal-line transition in CaAg(P1-xAsx)

By performing angle-resolved photoemission spectroscopy and first-principles calculations, we address the topological phase of CaAgP and investigate the topological phase transition in CaAg(P1-xAsx). We reveal that in CaAgP, the bulk band gap and surface states with a large bandwidth are topologically trivial, in agreement with hybrid density functional theory calculations. The calculations also indicate that application of "negative" hydrostatic pressure can transform trivial semiconducting CaAgP into an ideal topological nodal-line semimetal phase. The topological transition can be realized by partial isovalent P/As substitution at x = 0.38.Comment: 20 pages, 4 figure

Electronic Instability in a Zero-Gap Semiconductor: The Charge-DensityWave in (TaSe4)(2)I

International audienceWe report a comprehensive study of the paradigmatic quasi-1D compound (TaSe4)(2)I performed by means of angle-resolved photoemission spectroscopy (ARPES) and first-principles electronic structure calculations. We find it to be a zero-gap semiconductor in the nondistorted structure, with non-negligible interchain coupling. Theory and experiment support a Peierls-like scenario for the charge-density wave formation below T-CDW = 263 K, where the incommensurability is a direct consequence of the finite interchain coupling. The formation of small polarons, strongly suggested by the ARPES data, explains the puzzling semiconductor-to-semiconductor transition observed in transport at T-CDW

Magnetic Moment and Anisotropy of Individual Co Atoms on Graphene

We report on the magnetic properties of single Co atoms on graphene on Pt(111). By means of scanning tunneling microscopy spin-excitation spectroscopy, we infer a magnetic anisotropy of K = -8.1 meV with out-of-plane hard axis and a magnetic moment of 2.2 mu(B). Co adsorbs on the sixfold graphene hollow site. Upon hydrogen adsorption, three differently hydrogenated species are identified. Their magnetic properties are very different from those of clean Co. Ab initio calculations support our results and reveal that the large magnetic anisotropy stems from strong ligand field effects due to the interaction between Co and graphene orbitals

Structural and electronic properties of the Bi/Au(110)-1x4 surface

We report on the structural and electronic properties of the Bi/Au(110)-1 x 4 surface, by combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and first-principles calculations. The analysis of the precursor 1 x 8 moire structure shows that the 1 x 4 reconstruction forms at an optimum coverage of one monolayer. A hard-sphere model is proposed for the 1 x 4 structure and further confirmed by calculations. In this model, topmost Bi atoms form rows supported by a Bi overlayer, with no significant alloying with the substrate. This has important consequences regarding the electronic properties and the spin texture. The photoemission measurements evidence typical p Bi-induced states, that can have either quasi-one-or two-dimensional character depending on their binding energy. These states show no Rashba spin splitting, in agreement with the results of first-principles calculations. This finding is discussed by considering the role of hybridization with the substrate in the emergence of the Rashba effect

Theory of resonant spin-dependent tunneling in an Fe/Ag/MgO/Fe(001) junction

Calculation of the tunneling magnetoresistance (TMR) of an Fe/Ag/MgO/Fe(001) magnetic junction is reported. The magnetoresistance is determined without any approximations from the real-space Kubo formula using tight-binding bands fitted to an ab initio band structure. It is shown that the calculated TMR oscillates as a function of Ag interlayer thickness between positive values in excess of 2000% and negative values of the order of ?100%. The oscillation period is determined by the spanning vector of the Ag Fermi surface. The large positive TMR and the changes in its sign are due to resonant enhancement of the tunneling conductance of majority-spin carriers in the ferromagnetic configuration and of the conductance of carriers tunneling in the antiferromagnetic configuration from the minority-spin channel in the Fe electrode adjacent to the Ag layer to the majority-spin channel in the other Fe electrode. The resonant enhancement occurs because the Ag interlayer creates potential steps for electrons in both the ferromagnetic and antiferromagnetic configurations of the junction. This mechanism, which results in a very large TMR, is quite different from the mechanism that causes large TMR in the standard Fe/MgO/Fe(001). It offers the possibility of tuning the magnitude and sign of the TMR by the choice of the interlayer thickness. A Lateral supercell method was also used to investigate the effect of interfacial roughness on the resonant tunneling in an Fe/Ag/MgO/Fe(001) junction. It is found that, in contrast to the Fe/MgO/Fe(001) junction whose TMR is reduced drastically by disorder, the junction with a silver interlayer is much less affected by interfacial roughness

Oscillatory behavior of tunnel magnetoresistance in a magnetic tunnel junction with varying magnetic layer thickness

We theoretically study the dependence of the tunnel magnetoresistance (TMR) of an MgO-based magnetic tunnel junction (MTJ) on the thickness of the ferromagnetic (FM) layers. Our results show that the TMR ratio oscillates with the thickness of the FM layers. The amplitude of these oscillations is much greater than the one expected to occur in giant magnetoresistance devices. This is explained by the presence of the tunnel barrier, which reduces the number of propagating states, thus, limiting the effect of destructive interference and by the special nature of the Δ1 band in Fe. Calculations taking interfacial roughness in the MTJ into account show that the oscillations are robust against disorder. They are expected to affect the TMR ratio of experimental MTJ where one of the ferromagnetic electrodes has a thickness less than the diffusion length. We speculate that small variations in the FM electrode thickness could be related to the observed, but so far unexplained, oscillations of TMR with MgO thickness

Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides XP2 (X = Mo, W)

The recently discovered type-II Weyl points appear at the boundary between electron and hole pockets. Type-II Weyl semimetals that host such points are predicted to exhibit a new type of chiral anomaly and possess thermodynamic properties very different from their type-I counterparts. In this Letter, we describe the prediction of a type-II Weyl semimetal phase in the transition metal diphosphides MoP2 and WP2. These materials are characterized by relatively simple band structures with four pairs of type-II Weyl points. Neighboring Weyl points have the same chirality, which makes the predicted topological phase robust with respect to small perturbations of the crystalline lattice. In addition, this peculiar arrangement of the Weyl points results in long topological Fermi arcs, thus making them readily accessible in angle-resolved photoemission spectroscopy

Développement par procédés plasma d’assemblages membrane-électrodes pour la production/séparation d’hydrogène par photoélectrolyse de l’eau

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