کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8163358 | 1525220 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principle study on electronic structure and optical phonon properties of 2H-MoS2
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structure and optical and lattice dynamic properties of 2H-MoS2 crystal were calculated with the first principle theory. The results show that the conduction bands and valence bands are mainly composed of states about Mo 4d and S 3p as indicated by the band structure; also they have a strong orbital hybridization. The imaginary parts of dielectric function are explained based on electronic band structure. At 250Â K, the corresponding Debye temperature of 2H-MoS2 should be 570. The phonon frequencies at the center of Brillouin zone are in good agreement with Raman and infrared experimental data.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 426, 1 October 2013, Pages 103-107
Journal: Physica B: Condensed Matter - Volume 426, 1 October 2013, Pages 103-107
نویسندگان
Yu-dong Fu, Xiao-xue Feng, Mu-Fu Yan, Kui Wang, Shi-yang Wang,