104 citations · 134 across the 4 of their papers we have counts for
4 papers
Structural characterization and electronic structure of LiClO glasses for solid-state Li-ion batteries
Young Won Choi, Moyses Araujo, Levente Vitos +1
Energy storage technologies that can meet the unprecedented demands of a sustainable energy system based on intermittent energy sources require new battery materials. We investigat…
Understanding quality control of hard metals in industry -- A quantum mechanics approach
Martina Lattemann, Ruiwen Xie, Raquel Lizárraga +2
For many decades, the magnetic saturation of, e.g. hard metals (HM) such as WC-Co-based cemented carbides, has been used as process and quality control in industry to ensure consis…
Exchange Interactions in Paramagnetic Amorphous and Disordered Crystalline CrN-based Systems
A. Lindmaa, R. Lizárraga, E. Holmström +2
We present a first principles supercell methodology for the calculation of exchange interactions of magnetic materials with arbitrary degrees of structural and chemical disorder in…
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
Bao-Tian Wang, Ping Zhang, Raquel Lizárraga +2
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO by means of the local density approximation (LDA) approach. A phase t…