Role of anti-phase boundaries in the formation of magnetic domains in magnetite thin films.

Anti-phase boundaries (APBs) are structural defects which have been shown to be responsible for the anomalous magnetic behavior observed in different nanostructures. Understanding their properties is crucial in order to use them to tune the properties of magnetic materials by growing APBs in a controlled way since their density strongly depends on the synthesis method. In this work we investigate their influence on magnetite (FeO) thin films by considering an atomistic spin model, focussing our study on the role that the exchange interactions play across the APB interface.

Origin of reduced magnetization and domain formation in small magnetite nanoparticles.

The structural, chemical, and magnetic properties of magnetite nanoparticles are compared. Aberration corrected scanning transmission electron microscopy reveals the prevalence of antiphase boundaries in nanoparticles that have significantly reduced magnetization, relative to the bulk. Atomistic magnetic modelling of nanoparticles with and without these defects reveals the origin of the reduced moment.

Realisation of magnetically and atomically abrupt half-metal/semiconductor interface: CoFeSiAl/Ge(111).

Halfmetal-semiconductor interfaces are crucial for hybrid spintronic devices. Atomically sharp interfaces with high spin polarisation are required for efficient spin injection. In this work we show that thin film of half-metallic full Heusler alloy CoFeSiAl with uniform thickness and B2 ordering can form structurally abrupt interface with Ge(111).

Controlling the half-metallicity of Heusler/Si(1 1 1) interfaces by a monolayer of Si-Co-Si.

By using first-principles calculations we show that the spin-polarization reverses its sign at atomically abrupt interfaces between the half-metallic Co2(Fe,Mn)(Al,Si) and Si(1 1 1). This unfavourable spin-electronic configuration at the Fermi-level can be completely removed by introducing a Si-Co-Si monolayer at the interface. In addition, this interfacial monolayer shifts the Fermi-level from the valence band edge close to the conduction band edge of Si.

Polar Spinel-Perovskite Interfaces: an atomistic study of Fe3O4(111)/SrTiO3(111) structure and functionality.

Atomic resolution scanning transmission electron microscopy and electron energy loss spectroscopy combined with ab initio electronic calculations are used to determine the structure and properties of the Fe3O4(111)/SrTiO3(111) polar interface. The interfacial structure and chemical composition are shown to be atomically sharp and of an octahedral Fe/SrO3 nature. Band alignment across the interface pins the Fermi level in the vicinity of the conduction band of SrTiO3.

Atomic and electronic structure of twin growth defects in magnetite.

We report the existence of a stable twin defect in Fe3O4 thin films. By using aberration corrected scanning transmission electron microscopy and spectroscopy the atomic structure of the twin boundary has been determined. The boundary is confined to the (111) growth plane and it is non-stoichiometric due to a missing Fe octahedral plane.