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Phivos Mavropoulos

Publications and source records attributed to Phivos Mavropoulos.

42 records · Page 3Linked to original sources
arXiv2005

Scanning tunneling microscopy of surfaces of half-metals: an ab-initio study on NiMnSb(001)

We present a first-principles study of the unreconstructed (001) surfaces of the half-metallic ferromagnet NiMnSb. Both terminations (MnSb and Ni) are considered. We find that half-metallicity is lost at the surfaces. After a discussion of the geometric relaxations and the spin-polarized surface band structure, we focus on topography images which are expected to be found with spin-polarized scanning tunneling microscopy. For the MnSb-terminated surface we find that only the Sb atoms are visible, reflecting a geometric buckling caused by relaxations. For the Ni-terminated surface we find a strong contrast between the images of forward and reverse tip-sample-bias of 0.5 eV, as well as a stripe-like image for reverse bias. We interpret these findings in terms of highly directional surface states which are formed in the spin-down gap region.

cond-mat.mtrl-sci↗
arXiv2005

Half-metallic ferromagnets for magnetic tunnel junctions

Using theoretical arguments, we show that, in order to exploit half-metallic ferromagnets in tunneling magnetoresistance (TMR) junctions, it is crucial to eliminate interface states at the Fermi level within the half-metallic gap; contrary to this, no such problem arises in giant magnetoresistance elements. Moreover, based on an a priori understanding of the electronic structure, we propose an antiferromagnetically coupled TMR element, in which interface states are eliminated, as a paradigm of materials design from first principles. Our conclusions are supported by ab-initio calculations.

cond-mat.mtrl-sci↗
arXiv2003

Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coordination dependence of H, different and characteristic for each impurity. The behavior is explained in terms of the on-site s-p hybridization as the symmetry is reduced at the surface. Our results are in agreement with recent experimental findings.

cond-mat.mtrl-sci↗
arXiv2002

Towards New Half-Metallic Systems: Zinc-Blende Compounds of Transition Elements with N, P, As, Sb, S, Se, and Te

We report systematic first-principles calculations for ordered zinc-blende compounds of the transition metal elements V, Cr, Mn with the sp elements N, P, As, Sb, S, Se, Te, motivated by recent fabrication of zinc-blende CrAs, CrSb, and MnAs. They show ferromagnetic half-metallic behavior for a wide range of lattice constants. We discuss the origin and trends of half-metallicity, present the calculated equilibrium lattice constants, and examine the half-metallic behavior of their transition element terminated (001) surfaces.

cond-mat.mtrl-sci↗
arXiv2002

Ballistic Spin Injection and Detection in Fe/Semiconductor/Fe Junctions

We present {\it ab initio} calculations of the spin-dependent electronic transport in Fe/GaAs/Fe and Fe/ZnSe/Fe (001) junctions simulating the situation of a spin-injection experiment. We follow a ballistic Landauer-Büttiker approach for the calculation of the spin-dependent dc conductance in the linear-responce regime, in the limit of zero temperature. We show that the bulk band structure of the leads and of the semiconductor, and even more the electronic structure of a clean and abrupt interface, are responsible for a current polarisation and a magnetoresistance ratio of almost the ideal 100%, if the transport is ballistic. In particular we study the significance of the transmission resonances caused by the presence of two interfaces.

cond-mat↗