کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1789050 | 1023490 | 2009 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ab initio calculations of electronic structures of SrMoO4 crystals containing F and F+ color centers
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
The electronic structures of SrMoO4 crystals containing F and F+ color centers with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Dirac–Slater theory, using a numerically discrete variational (DV-Xα) method. From the calculation, it is concluded that F and F+ color centers have donor energy level in the forbidden band. The electronic transition energies from the donor level to the bottom of the conduction band are 1.855 eV and 2.161 eV, respectively, which correspond to the 670 nm and 575 nm absorption bands. It is predicted that the 670 nm and 575 nm absorption bands originate from the F and F+ centers in SrMoO4 crystals.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Applied Physics - Volume 9, Issue 6, November 2009, Pages 1237–1240
Journal: Current Applied Physics - Volume 9, Issue 6, November 2009, Pages 1237–1240
نویسندگان
Jigang Yin, Qiren Zhang, Tingyu Liu, Xiaofeng guo, Min Song, Xien Wang, Haiyan Zhang,