Kirill D. Belashchenko

Superconductivity of Metallic Boron in MgB2

Boron in MgB2 forms stacks of honeycomb layers with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizable electron-phonon coupling. Together with high phonon frequencies, which we estimate via zone-center frozen phonon calculations to be between 300 and 700 cm(-1), this produces a high critical temperature, consistent with recent experiments. Thus MgB2 can be viewed as an analog of the long sought, but still hypothetical, superconducting metallic hydrogen.

Robust isothermal electric control of exchange bias at room temperature

Voltage-controlled spin electronics is crucial for continued progress in information technology. It aims at reduced power consumption, increased integration density and enhanced functionality where non-volatile memory is combined with high-speed logical processing. Promising spintronic device concepts use the electric control of interface and surface magnetization. From the combination of magnetometry, spin-polarized photoemission spectroscopy, symmetry arguments and first-principles calculations, we show that the (0001) surface of magnetoelectric Cr(2)O(3) has a roughness-insensitive, electrically switchable magnetization. Using a ferromagnetic Pd/Co multilayer deposited on the (0001) surface of a Cr(2)O(3) single crystal, we achieve reversible, room-temperature isothermal switching of the exchange-bias field between positive and negative values by reversing the electric field while maintaining a permanent magnetic field. This effect reflects the switching of the bulk antiferromagnetic domain state and the interface magnetization coupled to it. The switchable exchange bias sets in exactly at the bulk Néel temperature.Roughness-insensitive and electrically controllable magnetization at the (0001) surface of antiferromagnetic chromia is observed using magnetometry and spin-resolved photoemission measurements and explained by the interplay of surface termination and magnetic ordering. Further, this surface in placed in proximity with a ferromagnetic Co/Pd multilayer film. Exchange coupling across the interface between chromia and Co/Pd induces an electrically controllable exchange bias in the Co/Pd film, which enables a reversible isothermal (at room temperature) shift of the global magnetic hysteresis loop of the Co/Pd film along the magnetic field axis between negative and positive values. These results reveal the potential of magnetoelectric chromia for spintronic applications requiring non-volatile electric control of magnetization.

Effect of interface states on spin-dependent tunneling in Fe/MgO/Fe tunnel junctions

The electronic structure and spin-dependent tunneling in epitaxial

Interface effects in spin-dependent tunneling

\mathrm{Fe}∕\mathrm{Mg}\mathrm{O}∕\mathrm{Fe}(001)

Equilibrium Magnetization at the Boundary of a Magnetoelectric Antiferromagnet

tunnel junctions are studied using first-principles calculations. For small MgO barrier thickness the minority-spin resonant bands at the two interfaces make a significant contribution to the tunneling conductance for the antiparallel magnetization, whereas these bands are, in practice, mismatched by disorder and/or small applied bias for the parallel magnetization. This explains the experimentally observed decrease in tunneling magnetoresistance (TMR) for thin MgO barriers. We predict that a monolayer of Ag epitaxially deposited at the interface between Fe and MgO suppresses tunneling through the interface band and may thus be used to enhance the TMR for thin barriers.

Tunneling Anisotropic Magnetoresistance Driven by Resonant Surface States: First-Principles Calculations on an Fe(001) Surface

Abstract In the past few years the phenomenon of spin-dependent tunneling (SDT) in magnetic tunnel junctions (MTJs) has aroused enormous interest and has developed into a vigorous field of research. The large tunneling magnetoresistance (TMR) observed in MTJs garnered much attention due to possible application in random access memories and magnetic field sensors. This led to a number of fundamental questions regarding the phenomenon of SDT. One such question is the role of interfaces in MTJs and their effect on the spin polarization of the tunneling current and TMR. In this paper we consider different models which suggest that the spin polarization is primarily determined by the electronic and atomic structure of the ferromagnet/insulator interfaces rather than by their bulk properties. First, we consider a simple tight-binding model which demonstrates that the existence of interface states and their contribution to the tunneling current depend on the degree of hybridization between the orbitals on metal and insulator atoms. The decisive role of the interfaces is further supported by studies of spin-dependent tunneling within realistic first-principles models of Co/vacuum/Al, Co/Al 2 O 3 /Co, Fe/MgO/Fe, and Co/SrTiO 3 /Co MTJs. We find that variations in the atomic potentials and bonding strength near the interfaces have a profound effect resulting in the formation of interface resonant states, which dramatically affect the spin polarization and TMR. The strong sensitivity of the tunneling spin polarization and TMR to the interface atomic and electronic structure dramatically expands the possibilities for engineering optimal MTJ properties for device applications.

Effect of oxygen vacancies on spin-dependent tunneling in Fe∕MgO∕Fe magnetic tunnel junctions

Symmetry arguments are used to show that a boundary of a magnetoelectric antiferromagnet has an equilibrium magnetization. This magnetization is coupled to the bulk antiferromagnetic order parameter and can be switched along with it by a combination of E and B fields. As a result, the antiferromagnetic domain state of a magnetoelectric can be used as a nonvolatile switchable state variable in nanoelectronic device applications. Mechanisms affecting the boundary magnetization and its temperature dependence are classified. The boundary magnetization can be especially large if the boundary breaks the equivalence of the antiferromagnetic sublattices.

Reversal of spin polarization in Fe/GaAs (001) driven by resonant surface states: first-principles calculations.

Fully relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic electrode. The effect is driven by the spin-orbit coupling. It shifts the resonant surface band via the Rashba effect when the magnetization direction changes. We find that spin-flip scattering at the interface is controlled not only by the strength of the spin-orbit coupling, but depends strongly on the intrinsic width of the resonant surface states.

The electronic structure change with Gd doping of HfO2 on silicon

First-principles calculations based on density functional theory are used to elucidate the effect of O vacancies, forming F centers, on spin-dependent tunneling in Fe∕MgO∕Fe(001) magnetic tunnel junctions. O vacancies produce occupied localized s states and unoccupied resonant p states, which is consistent with available experimental data. The authors find that O vacancies affect the conductance by nonresonant scattering of tunneling electrons causing a substantial reduction of tunneling magnetoresistance (TMR). Improving the quality of the MgO barrier to reduce O vacancy concentration would improve TMR in these and similar junctions.

Consistent model of magnetism in ferropnictides

A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with the voltage bias of electrons transmitted across this interface. Using a Greens function approach within the local spin-density approximation, we calculate the spin-dependent current in a Fe/GaAs/Cu tunnel junction as a function of the applied bias voltage. We find a change in sign of the spin polarization of tunneling electrons with bias voltage due to the interface minority-spin resonance. This result explains recent experimental data on spin injection in Fe/GaAs contacts and on tunneling magnetoresistance in Fe/GaAs/Fe magnetic tunnel junctions.