Giant Magnetoresistance Calculated from First Principles

Ionic adsorbate structures on metal electrodes calculated from first principles

1 The equilibrium coverage of metal electrodes in contact with an electrolyte has been addressed by periodic quantum-chemical calculations based density functional theory. The electrolyte has been treated in a grand-canonical approach using the concept of the computational hydrogen electrode. After briefly reviewing the theory and illustrating it using the co-adsorption of bromide and hydrogen ...

Optical Properties of Materials Calculated from First Principles Theory

Giant Magnetoresistance

In today’s world of portable, high capacity music players and consumer hard drives with storage sizes of up to a terabyte, the ubiquitousness of information and the space to store it seems to be almost taken for granted in our society. However, the emergence of such vast and economical storage of data has only occurred within the past 10 years. The most prominent driving force of this technolog...

Giant Magnetoresistance

The discovery of giant magnetoresistance (GMR) has been a huge impact on our life, especially for mass data storage devices. Initial experiments conducted by Gruberg and Fert are explained. Basic physics of the GMR effect can be explained by the two-current model, which the conduction of a current is consist of two different spin electrons. Details of GMR applications, such as hard-disk read-he...

First-principles calculated decomposition pathways for LiBH4 nanoclusters

We analyze thermodynamic stability and decomposition pathways of LiBH4 nanoclusters using grand-canonical free-energy minimization based on total energies and vibrational frequencies obtained from density-functional theory (DFT) calculations. We consider (LiBH4)n nanoclusters with n = 2 to 12 as reactants, while the possible products include (Li)n, (B)n, (LiB)n, (LiH)n, and Li2BnHn; off-stoichi...