نتایج جستجو برای: fp lapw
تعداد نتایج: 8396 فیلتر نتایج به سال:
It has been found that the pulmonary veins and adjacent left atrial posterior wall (LAPW) are deeply involved in both the initiation and maintenance of atrial fibrillation (AF), and the identification of these high-risk sites has aroused great interest in investigating their histopathologic substrate. We used light and conventional electron microscopy to evaluate the differential myocyte and in...
در این مقاله خواص الکترونی و مغناطیسی لایةنازک اکسید روی خالص و لایةنازک آلیاژzn1-xmnxo در هر سه ساختار ورتسایت (wurtzite)، بلِند روی ((zinc blende و نمک طعام (rock salt) مورد بررسی قرار گرفته است. محاسبات در قالب نظریة تابعی چگالی و با استفاده از کد wien2k انجام شده است. از روش پتانسیل کامل امواج تخت بهبودیافته خطی (fp-lapw) برای حل معادلات کوهن- شم و همچنین تقریب شیب تعمیم یافته (gga) برای ...
Experimental measurements of the second order susceptibilities for the second harmonic generation are reported for YAl3(BO3)4 (YAB) single crystals for the two principal tensor components xyz and yyy. First principle's calculation of the linear and nonlinear optical susceptibilities for Yttrium Aluminum Borate YAl3(BO3)4 (YAB) crystal have been carried out within a framework of the full-potenti...
Self-consistent ab initio calculations are performed on the structural, electronic and optical properties of wurtzite ZnO. The Full Potential Linearized Augmented Plane Wave (FP-LAPW) method is applied to solve the Kohn-Sham equations. Results are obtained by using the PBE-GGA and mBJLDA exchange correlation potentials. The energy and charge convergence have been examined to study the ground st...
The electronic structures of CuTe2 and Cu7Te4 were determined from first principles. The band structures, densities of states and projected contributions of atomic states were calculated with DFT ASWand FP-LAPW codes. Both compounds stabilize by establishing metallic instead of ionic systems. This behaviour is explained in terms of partly occupied valence bands that result from a range of Cu–Te...
In this theoretical study, we presents for the first time, to best of our knowledge, structural, electronic and elastic properties perovskite Sr0.5Be0.5TiO3 type structure (Tetragonal), P4/mmm, space group, 123.using full potential linearized augmented plane wave (FP-LAPW) method on basis density functional theory (DFT) integrated in Wien2k code . The generalized gradient approximation (GGA-PBE...
In the current study, peculiar nonlinear optical (NLO) properties of KAgCh (Ch = S, Se) and their structural, electronic, thermodynamic are computed utilizing FP-LAPW (full-potential linearized augmented plane wave) approach as embedded in Wein2K code. The Perdew–Burke–Ernzerh generalized gradient approximation (PBE-GGA) was considered for structural optimization. bandgaps found to be 2.57 2.39...
BACKGROUND Recognizing the relative location of the esophagus to the left atrial posterior wall (LAPW) is required to avoid esophageal injury during atrial fibrillation ablation. METHODS AND RESULTS The 24 patients undergoing circumferential pulmonary vein isolation (CPVI) each had the geometry of their left atrium (LA) and esophagus constructed by a noncontact mapping system with EnSite vers...
در این مقاله خواص اپتیکی ترکیب alingan از جمله قسمت حقیقی و موهومی تابع دی الکتریک، رسانندگی اپتیکی، ضریب شکست، ضریب خاموشی و تابع اتلاف انرژی مورد بررسی و محاسبه قرار گرفته اند. محاسبات با استفاده از روش امواج تخت تقویت شدۀ خطی با پتانسیل کامل (fp-lapw) در چارچوب نظریۀ تابعی چگالی و با استفاده از بسته محاسباتی wien2k صورت گرفته است. در نهایت نیز خواص اپتیکی این ترکیبات بررسی شد که نتایج به دست...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید