Quantum size correction to the work function and the centroid of excess charge in positively ionized simple metal clusters
محل انتشار: مجله پژوهش فیزیک ایران، دوره: 4، شماره: 1
سال انتشار: 1382
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 280
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شناسه ملی سند علمی:
JR_PSI-4-1_013
تاریخ نمایه سازی: 30 دی 1397
چکیده مقاله:
In this work, we have shown the important role of the finitesize correction to the work function in predicting the correct position of the centroid of excess charge in positively charged simple metal clusters with different re values (2 Sr. 57). For this purpose, firstly we have calculated the selfconsistent Kohn-Sham energies of neutral and singly-ionized clusters with sizes 2 SN 3100 in the framework of local spin-density approximation and stabilized jellium model (SJM) as well as simple jellium model (JM) with rigid jellium. Secondly, we have fitted our results to the asymptotic ionization formulas both with and without the size correction to the work function. The results of fittings show that the formula containing the size correction predict a correct position of the centroid inside the jellium while the other predicts a false position, outside the jellium sphere
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نویسندگان
m payami
Center for Theoretical Physics and Matheamtics, Atomic Energy Organization of Iran, P. O. Box ۱۱۳۶۵-۸۴۸۶, Tehran, Iran