Comparative study on electronic structures of MgB2-like borides
类MgB2硼化物晶体电子结构比较研究

The accurate first-principle method was used to calculate the electronic structures of eight MgB2 like borides at ambient and under high pressure co nditions. Their electronic structures were compared with each other. The results may be h elpful to modulate physical properties of the borides under high pressure.