Hao Aimin

First-principles calculations of electronic and magnetic properties of CeN: The LDA + U method

Electronic and magnetic properties of CeN are investigated using first-principles calculations based on density functional theory (DFT) with the LDA + U method. Our results show that CeN is a half-metal. The majority-spin electron band structure has metallic intersections, whereas the minority-spin electron band structure has a semiconducting gap straddling the Fermi level. A small indirect energy gap occurs between X and W. The calculated magnetic moment is 0.99 μB per unit cell.

Effects of pressure and/or magnetism on superconductivity of δ-MoN single crystal *

Effects of pressure and/or magnetism on the critical superconducting temperature (Tc) of δ-MoN single crystal were investigated using a Maglab system. The δ-MoN single crystal was synthesized at extreme conditions of high pressure and high temperature. The carrier density of δ-MoN single crystal as a function of applied pressure was determined using Hall coefficient measurement.

Electrochemical Performance of Li4Ti5O12 Synthesized by a PVP Combustion Assisted Sol-gel Method

Abstract Li4Ti5O12 samples were synthesized via a PVP (polyvinylpyrrolidone) assisted gel-combustion method by varying the calcination temperature. The effect of different roasting temperatures on the structure, the morphology, and the electrochemical performance of the Li4Ti5O12 material was analyzed. The cycle performance, the structure and the morphology of the prepared material were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and charge/discharge test system. The results show that the Li4Ti5O12 powder has a single-phase spinel structure with uniform particles size. The average particle size is 500 nm. The Li4Ti5O12 material synthesized at 800 oC for 8 h possesses excellent performance, and its first discharge capacity is 167.4 mAh/g.