Correlation between valence electronic structure and magnetic properties in RCo_5(R=rare earth) intermetallic compound

The magnetisms of RCo5（R = rare earth） intermetallics are systematically studied with the empirical electron theory of solids and molecules（EET）.The theoretical moments and Curie temperatures agree well with experimental ones.The calculated results show strong correlations between the valence electronic structure and the magnetic properties in RCo5 intermetallic compounds.The moments of RCo5 intermetallics originate mainly from the 3d electrons of Co atoms and 4f electrons of rare earth,and the s electrons also affect the magnetic moments by the hybridization of d and s electrons.It is found that moment of Co atom at 2c site is higher than that at 3g site due to the fact that the bonding effect between R and Co is associated with an electron transformation from 3d electrons into covalence electrons.In the heavy rare-earth-based RCo5 intermetallics,the contribution to magnetic moment originates from the 3d and 4f electrons.The covalence electrons and lattice electrons also affect the Curie temperature,which is proportional to the average moment along the various bonds.

Effect of Sm doping into CuInTe_(2) on cohesive energy before and after light absorption

The effects of Sm doping into CuInTe_(2) chalcopyrite on the cohesive energy before and after light absorption are systematically investigated by the empirical electron theory(EET) of solids and molecules.The results show that the static energy of CuIn_(1-x)Sm_(x)Te_(2) decreases with Sm content increasing due to the valence electronic structure modulated by doping Sm into CuIn_(1-x)Sm_(x)Te_(2).The calculated optical absorption transition energy from the static state to the excited energy level in CuIn_(1-x)Sm_(x)Te_(2) accords well with the experimental absorption bandgap of CuIn_(1-x)Sm_(x)Te_(2).Moreover,it is found that the energy bandgap of CuIn_(1-x)Sm_(x)Te_(2) is significantly widened with Sm content increasing due to its special valent electron structure,which is favorable for enhancing the light absorption in a wider range and also for the potential applications in solar cells.