arXiv subjects

Ingrid Mertig

Publications and source records attributed to Ingrid Mertig.

99 records · Page 6Linked to original sources

arXiv2006

Spin-dependent tunneling in the nearly-free-electron model

Spin-dependent ballistic transport through a tunnel barrier is treated within the one-dimensional nearly-free-electron model. The comparison with free electrons reveals significant effects of band gaps, in particular in the bias dependence. The results are qualitatively explained by the number of incident and transmitted states in the leads. With an extension to ferromagnetic leads the bias dependence of tunnel magneto-resistance is discussed.

cond-mat.mes-hall↗

arXiv2005

Organometallic Benzene-Vanadium Wire: One-Dimensional Half-Metallic Ferromagnet

Using density functional theory we have performed theoretical investigations of the electronic properties of a free-standing one-dimensional organometallic vanadium-benzene wire. This system represents the limiting case of multi-decker V_n(C6H6)_{n+1} clusters which can be synthesized. We predict that the ground state of the wire is a 100% spin-polarized ferromagnet (half-metal). Its density of states is metallic at the Fermi energy for the minority electrons and shows a semiconductor gap for the majority electrons. We found that the half-metallic behavior is conserved up to 12%, longitudinal elongation of the wire. However, under further stretching, the system exhibits a transition to a high-spin ferromagnetic state that is accompanied by an abrupt jump of the magnetic moment and a gain of exchange energy.

cond-mat.mtrl-sci↗

arXiv2005

Transport properties of single atoms

We present a systematic study of the ballistic electron conductance through sp and 3d transition metal atoms attached to copper and palladium crystalline electrodes. We employ the 'ab initio' screened Korringa-Kohn-Rostoker Green's function method to calculate the electronic structure of nanocontacts while the ballistic transmission and conductance eigenchannels were obtained by means of the Kubo approach as formulated by Baranger and Stone. We demonstrate that the conductance of the systems is mainly determined by the electronic properties of the atom bridging the macroscopic leads. We classify the conducting eigenchannels according to the atomic orbitals of the contact atom and the irreducible representations of the symmetry point group of the system that leads to the microscopic understanding of the conductance. We show that if impurity resonances in the density of states of the contact atom appear at the Fermi energy, additional channels of appropriate symmetry could open. On the other hand the transmission of the existing channels could be blocked by impurity scattering.

cond-mat.mtrl-sci↗

arXiv2005

Impurity scattering and quantum confinement in giant magnetoresistance systems

Ab initio calculations for the giant magnetoresistance (GMR) in Co/Cu, Fe/Cr, and Fe/Au multilayers are presented. The electronic structure of the multilayers and the scattering potentials of point defects therein are calculated self-consistently. Residual resistivities are obtained by solving the quasi-classical Boltzmann equation including the electronic structure of the layered system, the anisotropic scattering cross sections derived by a Green's function method and the vertex corrections. Furthermore, the influence of scattering centers at the interfaces and within the metallic layers is incorporated by averaging the scattering cross sections of different impurities at various sites. An excellent agreement of experimental and theoretical results concerning the general trend of GMR in Co/Cu systems depending on the type and the position of impurities is obtained. Due to the quantum confinement in magnetic multilayers GMR can be tailored as a function of the impurity position. In Co/Cu and Fe/Au systems impurities in the magnetic layer lead to high GMR values, whereas in Fe/Cr systems defects at the interfaces are most efficient to increase GMR.

cond-mat.mtrl-sci↗

arXiv2004

Magnetoresistance of atomic-sized contacts: an ab-initio study

The magnetoresistance (MR) effect in metallic atomic-sized contacts is studied theoretically by means of first-principle electronic structure calculations. We consider three-atom chains formed from Co, Cu, Si, and Al atoms suspended between semi-infinite Co leads. We employ the screened Korringa-Kohn-Rostoker Green's function method for the electronic structure calculation and evaluate the conductance in the ballistic limit using the Landauer approach. The conductance through the constrictions reflects the spin-splitting of the Co bands and causes high MR ratios, up to 50%. The influence of the structural changes on the conductance is studied by considering different geometrical arrangements of atoms forming the chains. Our results show that the conductance through s-like states is robust against geometrical changes, whereas the transmission is strongly influenced by the atomic arrangement if p or d states contribute to the current.

cond-mat.mtrl-sci↗

arXiv2003

Landauer conductance of tunnel junctions: Strong impact from boundary conditions

We present model calculations for the Landauer conductance of tunnel junctions. The tunneling of free electrons through a rectangular potential barrier is considered. The conductance of a finite number of barriers was calculated using a transfer matrix method. The periodic arrangement of the same barriers was described by a Kronig-Penney model to calculate the band structure and from that the conductance of a point contact in the ballistic limit. The comparison of both results elucidated the importance of the boundary conditions. Caused by resonant scattering in the superlattice the conductance is overestimated by the order of 1/t, the transmission coefficient of the single barrier. In the case of metallic multilayers these interferences are of minor importance. In conclusion, the application of the Landauer formula to periodic lattices to describe the tunneling conductance of a single barrier is not correct.

cond-mat.mtrl-sci↗

arXiv2000

Ab initio description of tunnel junctions

Based on spin-density functional theory we calculate the electronic structure of a tunnel junction consisting of two magnetic Fe layers separated by an insulating vacuum barrier selfconsistently. For the conductance the Landauer formula is evaluated in the ballistic limit as function of the magnetic configuration. Based on these conductances the tunnel magnetoresistance (TMR) ratio is obtained. We investigate the relation between TMR ratio and spin polarization of the electronic structure at the metal/insulator interface.

cond-mat.mtrl-sci↗

arXiv2000

Ab intio calculation of the Transmission Coefficients from a Superlattice electronic structure

A new formalism to calculate the transmission coefficient t of electrons from a material L into the same material L through a barrier B is presented. The barrier B is arbitrary and can be metallic, semiconducting or insulating. The important feature of this formalism is that it starts from the electronic structure of a periodic L/B superlattice. The electronic stucture of such a superlattice is calculated selfconsistently within a Screened Korringa-Kohn-Rostoker method. The capability of the new method is demonstrated by means of a free electron model. First results for the transmission of Cu electrons through a Co layer are presented.

cond-mat.mtrl-sci↗

arXiv2000

c(2x2) Interface Alloys in Co/Cu Multilayers - Influence on Interlayer Exchange Coupling and GMR

The influence of a c(2x2) ordered interface alloy of 3d transition metals at the ferromagnet/nonmagnet interface on interlayer exchange coupling (IXC), the formation of quantum well states (QWS) and the phenomenon of Giant MagnetoResistance is investigated. We obtained a strong dependence of IXC on interface alloy formation. The GMR ratio is also strongly influenced. We found that Fe, Ni and Cu alloys at the interface enhance the GMR ratio for in-plane geometry by nearly a factor of 2.

cond-mat.mtrl-sci↗