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以Ａ．Ｋｏｂａｙａｓｈｉ等的半经验紧束缚模型和Ｈｊａｌｍａｒｓｏｎ－Ｖｏｇｈ－Ｗｏｌｆｏｒｄ－Ｄｏｗ深能级理论为基础，计算了Ｈｇ１－ｘＣｄｘＴｅ中阳离子位替代式杂质（包括Ｎ，Ｏ，Ｃ）与最近邻替代式杂质形成ｓｐ３键杂质对后阳离子位杂质Ａ１对称性深能级的变化以及最近邻理想双空位（Ｖｃ，Ｖａ）的深能级。计算结果表明：阳离子位杂质Ａ１能级的变化取决于与其配对杂质的电负性，杂质对ａ１能级组分依赖关系ｄＥ／ｄｘ小于阳离子位单杂质Ａ１能级的ｄＥ／ｄｘ，大于阴离子位单杂质Ｔ２能级的ｄＥ／ｄｘ，不同杂质对的ｄＥ／ｄｘ基本相同；理想双空位（Ｖｃ，Ｖａ）在能隙或近能隙区域产生一个ａ１态深能级，该能级的ｄＥ／ｄｘ很小，对于ＣｄＴｅ，位置在０．５ｅＶ，对于ｘ＜０．３７的Ｈｇ１－ｘＣｄｘＴｅ，该能级成为导带共振态。
With A. Kobayashi et al., And the Hjalmarson-Vogh-Wolford-Dow deep level theory, we calculated that intersubspectrum substitution (including N, O, C) and nearest neighbor substitutional impurities in Hg1-xCdxTe form sp3 The change in the symmetry of the postcational impurity A1 at the key impurity, and the deep level of the nearest neighbor ideal double vacancy (Vc, Va). The calculated results show that the energy level of cation A1 varies depending on the electronegativity of its paired impurities. The dependence of impurity on a1 energy level component dE / dx is smaller than the dE / dx of A1 level of cationic single impurity, DE / dx of single impurity T2 level and dE / dx of different impurity pairs are basically the same. The ideal double vacancy (Vc, Va) produces an a1 deep level in the energy gap or near gap, and the dE / dx is small, 0.5eV for CdTe and for Hg1-xCdxTe with x <0.37, this band becomes the conduction band resonance state.