نتایج جستجو برای: kkr
تعداد نتایج: 154 فیلتر نتایج به سال:
در این پایان نامه نوار انرژی توریم بروش kkr نسبیتی تعیین شده است . محاسبات بر مبنای بسط امواج جزیی ماتریس - t انجام گرفته که در آن از تقریب پتانسیل ما فین - تین برای پتانسیل بلور استفاده شده است . نوار محاسبه شده در راستای (100) منطقه اول بریلوین شبکه کریستالی fcc توریم محاسبه شده است .
با استفاده از مش هرمن اسکیلمن معادلهء شعاعی شرودینگر حل شد و با استفاده از آن مشتقات لگاریتمی توابع شعاعی برای l=2,l=1,l=o بدست آمد. سپس براساس مشتقات لگاریتمی به دست آمده مقادیر جابجایی فاز برای لیتیم و آهن به دست آمد و با روش kkr نوارهای انرژی این دو فلز در جهت های مختلف رسم گردید.
We consider the semiclassical quantization of the Sinai billiard for disk radii R small compared to the wave length 2π/k. Via the application of the periodic orbit theory of diffraction we derive the semiclassical spectral determinant. The limitations of the derived determinant are studied by comparing it to the exact KKR determinant, which we generalize here for the A1 subspace. With the help ...
Cr3Al shows semiconductor-like behavior which has been attributed to a combination of antiferromagnetism and chemical ordering of the Cr and Al atoms on the bcc sublattice. This article presents a detailed theoretical and experimental study of the chemical ordering in Cr3Al. Using density functional theory within the KorringaKohn-Rostoker (KKR) formalism, we consider five possible structures wi...
We construct a bijection between the state of box-ball system with box capacity L and pair two sequences. During time evolution, one sequences moves at speed 1, other follows rules one, which can be linearized by Kerov–Kirillov–Reshetikhin (KKR) bijection. Our method applied to including negative value or greater than capacity.
It is shown that the Brillouin zone integral for the interstitial KKR Green function can be evaluated accurately by taking proper care of the free-electron singularities in the integrand. The proposed method combines two recently developed methods, a supermatrix method and a subtraction method. This combination appears to provide a major improvement compared with an earlier proposal based on th...
M ay 2 00 0 Application of the Exact Muffin - Tin Orbitals Theory : the Spherical Cell Approximation
We present a self-consistent electronic structure calculation method based on the Exact Muffin-Tin Orbitals (EMTO) Theory developed by The EMTO Theory can be considered as an improved screened KKR (Korringa-Kohn-Rostoker) method which is able to treat large overlapping potential spheres. Within the present implementation of the EMTO Theory the one electron equations are solved exactly using the...
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