Project supported by the National Basic Research Program of China(Grant No.2014CB643703);the National Natural Science Foundation of China(Grant Nos.11464008 and 51401060);the Natural Science Foundation of Guangxi Zhuang Autonomous Region,China(Grant Nos.2014GXNSFGA118001 and 2016GXNSFGA380001);the Guangxi Provincial Key Laboratory of Information Materials(Grant Nos.1210908-215-Z and 131022-Z)
Structural, electronic, and magnetic properties of AunGd (n = 6-15) small clusters are investigated by using first principles spin polarized calculations and combining with the ab-initio evolutionary structure simul...
Magnetic nanoparticles of NiFe2O4-Pd composites have been synthesized using a simple, low cost, sol-gel auto-combustion method. As-prepared samples were sintered at 800℃ for 6 h in order to develop the crystalline ph...
We study the geometries, stabilities, electronic and magnetic properties of (MgO)n (n=2-10) clusters doped with a single Mn atom using the density functional theory with the gener- alized gradient approximation. T...