Carrier compensation in semi-insulating CdTe: First-principles calculations
Carrier compensation in semi-insulating CdTe: First-principles calculations
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DOI：
10.1103/physrevb.77.094122
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发表时间：
2008-03-01
影响因子：
3.7
通讯作者：
Singh, David J.
中科院分区：
文献类型：
--
作者：
Du, Mao-Hua;Takenaka, Hiroyuki;Singh, David J.
半绝缘碲化镉中的载流子补偿是由于深施主（通常假定为碲反位）对过剩浅受主的补偿。然而，我们的第一原理计算表明，本征缺陷可能不会有一个显着的影响，由于缺乏深层次的midgap附近或低缺陷浓度的载流子补偿。我们表明，一个外在的缺陷，O-Te-H复合物，可能发挥重要作用，在CdTe的载流子补偿，因为它的两性特性和合理的高浓度。
Carrier compensation in semi- insulating CdTe has been attributed to the compensation of surplus shallow acceptors by deep donors, usually assumed to be Te antisites. However, our first- principles calculations show that intrinsic defects may not have a significant effect on the carrier compensation due either to lack of deep levels near midgap or to low defect concentration. We demonstrate that an extrinsic defect, O-Te-H complex, may play an important role in the carrier compensation in CdTe because of its amphoteric character and reasonably high concentration.