【正文】 were able to reproduce the pstatesplitting in pyramidal InAs QDs, by employing a 14band model which re?ects the correctsymmetry of the ZB crystal lattice. We have furthermore successfully applied our code to(111)oriented InGaAs QDs, by employing a correspondingly rotated eightband k p model.123O. Marquardt et al.This symmetryadapted model allows for a description of (111)oriented nanostructures witha significantly smaller putational effort than using a conventional eightband Hamiltonian. The above examples demonstrate the high ?exibility and ef?ciency of our generalisedmultiband k p code.4 總結(jié)和討論 我們已經(jīng)提出了一個(gè)高度概括的多波段KP模型的方法一個(gè)可以用來研究廣泛的半導(dǎo)體納米結(jié)構(gòu)的電子特性。這個(gè)模型在現(xiàn)有的DFT包的S /PHI/NX平面波框架的實(shí)施，讓我們獲得了一個(gè)高效靈活的代碼，通過采用現(xiàn)有的，高度優(yōu)化的只有輕微修改的最小化程序。我們已經(jīng)用我們的軟件將精密的不同水平的KP模型做一個(gè)比較，可以重現(xiàn)P態(tài)分裂在錐體的InAs量子點(diǎn)，通過采用反映了ZB晶格正確的對(duì)稱性的14波段模型此外，我們已經(jīng)成功地應(yīng)用了我們的代碼在（111）面向的InGaAs量子點(diǎn)，通過采用相應(yīng)的旋轉(zhuǎn)的8頻段KP模型。這種適應(yīng)對(duì)稱性的模型允許了一個(gè)（111）導(dǎo)向的計(jì)算精力比使用傳統(tǒng)的8頻段哈密頓顯著減小的納米結(jié)構(gòu)描述。上面的例子表明了我們廣義的和有效率的多波段KP碼高度的靈活性。ReferencesBahder, T.: Eightband k p model of strained zincblende crystals. Phys. Rev. B 41, 11992–12001 (1990)Baer, N., Schulz, S., Gartner, P., Schumacher, S., Czycholl, G., Jahnke, F.: In?uence of symmetry and Coulomb correlation effects on the optical properties of nitride quantum dots. Phys. Rev. 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