نتایج جستجو برای: lapw lo
تعداد نتایج: 40621 فیلتر نتایج به سال:
A framework supporting the privacy policy life cycle helps guide the kind of research to consider before sound privacy answers may be realized. nformation technology advances are making Internet and Web-based system use the common choice in many application domains, ranging from business to health care to scientific collaboration and distance learning. However, adoption is slowed by well-founde...
ISPs have been deluged with complaints. Furthermore, some ISPs report that spam places a considerable burden on their systems. A variety of technical countermeasures to spam have been proposed: the simplest are already being implemented; some of the more extreme could require dramatic changes to the ways we communicate electronically. In addition, there has been growing support in the U.S. for ...
در این پایان نامه، سطح مقطع تولید مزونd^± در ناحیه ترکش پایون در برخورد پایون- پروتون با استفاده از مدل پدیده شناختی ولون و سازوکار باز ترکیب محاسبه شده است. با بکارگیری مدل ولون، تابع باز ترکیب مزون d تولید شده محاسبه و سپس از تابع توزیع پارتون ها در تقریب های lo و nlo برای محاسبه ی تابع توزیع دو پارتونی در مدل ولون استفاده شده است. درادامه با محاسبه ی سطح مقطع تولید مزون d در تقریب lo نتایج ر...
We analyze the electronic structure of group III-V semiconductors obtained within full potential linearized augmented plane wave FP-LAPW method and arrive at a realistic and minimal tight-binding model, parametrized to provide an accurate description of both valence and conduction bands. It is shown that the cation sp3anion sp3d5 basis along with the next nearest neighbor model for hopping inte...
With the aim to get an insight in the origin of differences in the earlier reported calculation results for KNbO3 and to test the recently proposed “NFP” implementation of the full-potential linear muffin-tin orbital (FP-LMTO) method by M. Methfessel and M. van Schilfgaarde, we perform a comparative study of the ferroelectric instability in KNbO3 by FP-LMTO and full-potential linear augmented p...
Submitted for the MAR08 Meeting of The American Physical Society Effective model parameters for the spin-Peierls system TiOCl from first principles YUZHONG ZHANG, ROSER VALENTI, HARALD JESCHKE, Johann Wolfgang Goethe-Universität, Institut für Theoretische Physik — The inorganic spin-Peierls system TiOCl is studied in the frame of Density Functional Theory (DFT) by the projector augmented wave (...
OBJECTIVES Aging increases atrial fibrillation (AF) vulnerability. The left atrium (LA) is important for the generation of AF. However, the effect of aging on the electrophysiological properties of the LA in general, on the specific LA sites, and of possible accentuation of regional differences between the LA sites with aging is not clear. The purpose of this study was to evaluate the effects o...
We have investigated the group 14 nitrides (M3N4) in the spinel phase (γ-M3N4 with M = C, Si, Ge, and Sn) and β phase (β-M3N4 with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and t...
in present work, we have calculated the electronic properties including density of states and electron density for gan, inn and inxga1-xn in wurtzite phase for x=0.5. the study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. in this report we concluded that inxga1-xn ba...
Optoelectronic and thermoelectric properties of A3InAs3 (A = Sr Eu) Zintl compounds are investigated using FP-LAPW method with LDA, GGA mBJ potentials for Sr3InAs3 in addition Hubbard (U) Eu3InAs3 based on DFT. Electronic reveal that both the direct bandgap semiconductors their semiconducting nature is also supported by electrical resistivity (conductivity). The value ranging from 0.50 to 0.74 ...
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