Van An Dinh

Exchange Interaction and Tc in Alkaline-Earth-Metal-Oxide-Based DMS without Magnetic Impurities: First Principle Pseudo-SIC and Monte Carlo Calculation

The prospects of half-metallic ferromagnetism being induced by the incorporation of C atoms into alkaline-earth-metal-oxides are investigated by the first principle calculation. The origin of the ferromagnetism is discussed through the calculation of the electronic structure and exchange coupling constant by using the pseudo-potential-like self-interaction-corrected local spin density method. The Curie temperature (

Self-Organized Nanostructures and High Blocking Temperatures in MgO-Based d0 Ferromagnets

T_c

New High-Tc Half-Heusler Ferromagnets NiMnZ (Z=Si, P, Ge, As)

) is also predicted by employing the Monte Carlo simulation. It is shown that by taking the electron self-interaction into account, the half-metallic ferromagnetism induced by C in the host materials is more stabilized in comparison with the standard LDA case, and the Cs

Computational nano-materials design for colossal thermoelectric-cooling power by adiabatic spin-entropy expansion in nano-superstructures

2p

Tc-Enhanced codoping method for GaAs-based dilute magnetic semiconductors

electron states in the bandgap become more localized resulting in the predominance of the short-ranged exchange interaction. While the ferromagnetism in MgO

Diffusion Mechanism of Polaron–Li Vacancy Complex in Cathode Material Li2FeSiO4

_{1-x}

Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

C

A New Insight into the Polaron–Li Complex Diffusion in Cathode Material LiFe1-yMnyPO4 for Li Ion Batteries

_x

Quasi-Three-Dimensional Diffusion of Li ions in Li3FePO4CO3: First-Principles Calculations for Cathode Materials of Li-Ion Batteries

is stabilized due to the exchange interaction of the

Enhancement of TC by a carrier codoping method with size compensation for nitride-based ferromagnetic dilute magnetic semiconductors

1st