【摘要】 本文应用平均键能理化和形变势方法对理想的Ｓｉ－ＧａＡｓ（００１）异质界面的价带不连续性进行了理论确定，全面分析了应变的静流体分量和单轴分量所起的作用，以及阳离子浅ｄ轨道的影响．得出了Ｓｉ－ＧａＡｓ（００１）系统的各价带能量不连续值与弹性应变的定量关系，并对结果进行了讨论．更多还原

【Abstract】 Abstract This paper reports a theoretical determination of the valence-band offset at strained heterojunction Si-GaAs(001 )under idea situation combining the average bond energy theory and deformation potential method. The effect of the shallow d-orbitals in Ga atom on the valence-band offset is discussed. It is found that the offsets between the average valence-band energies and between the heavy hole bands are less affected by the elastic strain, however, the offsets between the topmost valence-band states and between the light hole bands are related to the strain condition. It in demonstrated that this strong dependence is due to the uniaxial component of the strain and its interaction with the spin-orbit splitting.更多还原