自旋-轨道相互作用和电子-声子耦合对硅空位电子态的影响
Effect of the spin-orbit interaction and the electron phonon coupling on the electronic state in a silicon vacancy
摘要：
用格林函数方法研究了硅单晶中单个空位周围的电子态。三重简并电荷状态被发现是广泛的扩展和帐户在低温下观察到在最近的超声波实验中非常大的弹性软化。当我们在每个Si原子上包括LS耦合$λ_{\rm Si}$时，具有+1价和自旋1/2的$V^{+}$态的6倍自旋-轨道简并分裂成$Γ_{7}$双重基态和具有降低的激发能$O(λ_{\rm Si}/10)$的$Γ_{8}$四重激发态。我们还考虑了在二级微扰下电子与悬键中Jahn-Teller声子的耦合效应，发现基态变为$Γ_{8}$四重态，这是磁场抑制掺硼硅软化的原因.
英文摘要：
The electronic state around a single vacancy in silicon crystal is investigated by using the Green's function approach. The triply degenerate charge states are found to be widely extended and account for extremely large elastic softening at low temperature as observed in recent ultrasonic experiments. When we include the LS coupling $λ_{\rm Si}$ on each Si atom, the 6-fold spin-orbital degeneracy for the $V^{+}$ state with the valence +1 and spin 1/2 splits into $Γ_{7}$ doublet groundstates and $Γ_{8}$ quartet excited states with a reduced excited energy of $O(λ_{\rm Si}/10)$. We also consider the effect of couplings between electrons and Jahn-Teller phonons in the dangling bonds within the second order perturbation and find that the groundstate becomes $Γ_{8}$ quartet which is responsible for the magnetic-field suppression of the softening in B-doped silicon.
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