Investigation and simulation of the structural and electronic properties of LiF:Mg, LiF:Cu, LiF:P nano-layer dosimeters
| العنوان: | Investigation and simulation of the structural and electronic properties of LiF:Mg, LiF:Cu, LiF:P nano-layer dosimeters |
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| المؤلفون: | Omid Khayat, Sajad Shahmaleki, Kheirollah Mohammadi, Hossein Afarideh, Meisam Mohammadnia |
| المصدر: | Radiation Effects and Defects in Solids. 170:733-744 |
| بيانات النشر: | Informa UK Limited, 2015. |
| سنة النشر: | 2015 |
| مصطلحات موضوعية: | Nuclear and High Energy Physics, Radiation, Materials science, business.industry, Band gap, Doping, Analytical chemistry, Lithium fluoride, Electronic structure, Condensed Matter Physics, chemistry.chemical_compound, Semiconductor, Lattice constant, chemistry, General Materials Science, Thin film, Atomic physics, business, Electronic density |
| الوصف: | In this study, electronic structure of lithium fluoride thin films in pure state and doped with magnesium (Mg), copper (Cu) and phosphorus (P) impurities was studied using WIEN2K Code. The structural and electronic properties of two LiF thin films with 1.61 and 4.05 nm thicknesses were studied and compared. Results show that the distance of atoms in the surface and central layers of pure LiF are 1.975 and 2.03 nm, respectively. Electronic density of the valence band around the surface atoms is greater than that around middle atoms of the supercell. The band gap of bulk LiF is 9 eV. But, in the case of thin films, it is reduced to 2 eV. Electronic and hole-traps were not observed in composition of LiF thin films doped with Mg and P with 1.61 and 4.05 nm thickness and in fact, metallic properties were observed. When Cu atoms were doped in composition of an LiF thin film, the thin film was converted to semiconductor. |
| تدمد: | 1029-4953 1042-0150 |
| DOI: | 10.1080/10420150.2015.1101463 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::a484165037a499c5764c523ac59f4037 https://doi.org/10.1080/10420150.2015.1101463 |
| رقم الانضمام: | edsair.doi...........a484165037a499c5764c523ac59f4037 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 10294953 10420150 |
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| DOI: | 10.1080/10420150.2015.1101463 |