Local vibrations of thermal double donors in silicon

Article

关键词: INTERSTITIAL OXYGEN;    CORE STRUCTURE;    PSEUDOPOTENTIALS;    450-DEGREES-C;    DIMER;    AGGREGATION;    COMPLEXES;    DYNAMICS;   

DOI  :  10.1103/PhysRevB.66.075219

来源: SCIE

【 摘 要 】

The local vibrational modes (LVM's) of the oxygen chains assigned to thermal double donors (TDD's) and other related oxygen defects in silicon are studied using accurate total-energy calculations. We find that the calculated LVM frequencies as well as their isotopic shifts and charge-state dependences (temperature dependences) for the oxygen chains agree closely with the corresponding experimental quantities, which supports our assignments of the O-2i-O-2r chain to TDD1 and the O-i-O-nr-O-i chains to TDDn (n>1) (O-i is an interstitial oxygen and O-r a threefold coordinated oxygen belonging to a ring).

【 授权许可】

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