摘要:
在局域密度理论(LDA)和广义梯度理论(GGA)的基础上计算了ZnO,GaN,GaAs,SiC和InP五种化合物半导体材料中的正电子湮没信息,包括化合物半导体材料中的自由态正电子的湮没寿命;还有不同类型空位(单空位,双空位)附近俘获的束缚态正电子密度分布和湮没率分布,以及束缚态正电子的湮没寿命.
Abstract:
On the basis of of local density approximation (LDA) and general gradient approximation (GGA), positron annihilation information has been calculated for five types of compound semiconductors, which are ZnO, CaN, GaAs, SiC and InP. The calculated information includes distribution of positron density, distribution of positron annihilation rate density, positron bulk lifetime, positron monovaeaney lifetime and positron divacancy lifetime.