Electronic structure and band parameters for Zn (, S, Se, Te)

Temperature dependent band gap in PbX (X=S, Se, Te)

First Principles Investigation of Ferromagnetism for Zn 1 - xMnxY ( Y = S , Se , Te )

Through first-principles full-potential linear muffin-tin orbital (FP-LMTO) method within the local density approximation, we investigate the structural and electronic properties of Zn1-xMnx Y (VIa) where Y represent an element of the VIa column(S, Se and Te) compounds-based diluted magnetic semiconductors (DMS) in the Zinc-blend structure. We have investigated the lattice parameters and band g...

Electronic structure , linear , nonlinear optical susceptibilities and birefringence of CuInX 2 ( X = S , Se , Te ) chalcopyrite - structure compounds

The electronic structure, linear and nonlinear optical properties have been calculated for CuInX2 (X = S, Se, Te) chalcopyrite-structure single crystals using the state-of-the-art full potential linear augmented plane wave (FP-LAPW) method. We present results for band structure, density of states, and imaginary part of the frequency-dependent linear and nonlinear optical susceptibilities. We fi...

بررسی ویژگی‌های ساختاری و الکترونی ترکیب‌های AgGaX2(X=Se,S,Te) و CuSbX2(X=Se,S,Te) با استفاده از نظریۀ تابعی چگالی

در این مطالعه ویژگی­ های ساختاری از جمله ثابت­ های شبکه، مدول حجمی و الکترونی ترکیب ­های (X=S,Se,Te) AgGaX2 وCuSbX2 (X=S,Se,Te) در حالت انبوه در چارچوب نظریۀ تابعی چگالی و روش موج­ های  تخت بهبود یافتۀ خطی با پتانسیل کامل (FP-LAPW) با استفاده از نرم ­افزار Wien2k محاسبه شده است. هم­چنین برای بررسی ویژگی­های الکترونی این ترکیب­ ها، چگالی حالت­ های کل، ساختار نواری، چگال...

Synthesis of colloidal Zn(Te,Se) alloy quantum dots

Colloidal Zn(Te1−xSex) quantum dots (QDs), which are highly mismatched semiconductor alloys, were synthesized by the hot injection of an organometallic solution, and the composition and size dependence of their optical gap were studied together with the theoretical calculation using the finite-depth-well effective mass approximation. The optical gaps exhibited considerable negative deviation fr...