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基于缺陷化学理论,考虑到富Te的CdTe晶体中可能存在的点缺陷,建立了在Te气氛下退火时,热力学平衡态晶体中的点缺陷模型,其中包括Cd间隙(Cdi)、Cd空位(VCd)、Te间隙(Tei)和Te反位(TeCd).利用质量作用定律和伪化学平衡方程计算了富Te情况下本征CdTe晶体中的点缺陷浓度和费米能级.计算结果系统的揭示了点缺陷浓度、费米能级、Te压以及退火温度之间的关系,发现只有TeCd浓度足够大时才能对费米能级产生钉扎作用.

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