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標題: 第IV族半導體無應力合金價帶性質之理論研究
Valence Band Properties of Relaxed Group IV Semiconductor Alloys
作者: Chen, Wei-Zhu
關鍵字: 有效質量;effective mass;價帶;第IV族半導體合金;無應力;各向異性參數;態密度有效質量;迴旋共振有效質量;valence band;group Iv semiconductor alloys;relaxed;anisotropy parameter;d.o.s. effective masses;C.R. effective masses
出版社: 物理學系
我們報告有關無應力第四族半導體合金(Si1-x-yGexCy)價帶性質的計算。運用LCAO近似法計算價帶結構,由其所得到的等能面再配合k.p近似法的結果可得價帶的解析表達式。我們運用這個解析的價帶結構進行價帶性質的計算。虛晶體近似(Virtual Crystal Approximation)是用來處理合金部分的問題。各向異性參數Γ,電洞的態密度有效質量(d.o.s m*)可表成摻雜濃度x,y的函數,迴旋共振有效質量(CR m*)也可表成摻雜濃度x,y及θ的函數。θ是在(110)平面上的靜磁場與[001]軸的夾角。根據上述計算結果發現,各向異性參數Γ,電洞的態密度有效質量d.o.s. m*及固定外加磁場方向之下的電洞迴旋共振有效質量 CR m*,當合金結構趨向純碳時數值會有劇烈上揚的不尋常變化。對應之輕電洞數值則平緩地分佈於不同合金比例。我們的計算結果得到一個強而有力的證據顯示,分離電洞價帶和重電洞價帶之間的交互作用,會造成重電洞的各種性質不尋常行為。數值運算上我們發現態密度有效質量的值和迴旋共振有效質量在 θ=30.6 o之值相同 。

We report calculations of valence band properties of ternary group IV semiconductor alloys Si1-x-yGexCy.The linear combination of atomic orbitals' Hamiltonian matrix with spin-orbit interaction terms is incorporated to obtain the analytic express for the valence band structure for all the calculations.The anisotropy parameter of the valence band.the desity-of-state effective masses (d.o.s. m*)of holes are calculated as functions of alloy concentration x and y. The cyclon resonan effective masses (CR m*) of holes are also calculated as a funtion of x,y,and the angle between the static magnetic field in (110) plane and [001] axis. A sharp rise of the values of ,d.o.s. m*,CR m* for fixed for heavy holes are found as the alloy approaches pure diamiond while the light hole values vary moderately over all the alloy concetrtions. Our calculations provide a strong evidence that the interaction between the split-off hole band and the heavy hole band is responsible for the anomalous behavior of the heavy holes properties.
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