کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1328902 1500080 2016 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Crystal growth and electronic structure of low-temperature phase SrMgF4
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Crystal growth and electronic structure of low-temperature phase SrMgF4
چکیده انگلیسی


• Large size single crystal of low-temperature phase SrMgF4 is obtained.
• Electronic structure of SrMgF4 is measured by X-ray photoelectron spectroscopy.
• Partial densities of states are determined by first-principles calculation.
• Good agreement between experimental and calculated results is achieved.
• Strong ionic characteristics of chemical bonds are exhibited in SrMgF4.

Using the vertical Bridgman method, the single crystal of low temperature phase SrMgF4 is obtained. The crystal is in a very good optical quality with the size of 10×7×5 mm3. Detailed photoemission spectra of the element core levels are determined by a monochromatic AlKa (1486.6 eV) X-ray source. Moreover, the first-principles calculations are performed to investigate the electronic structure of SrMgF4. A good agreement between experimental and calculated results is achieved. It is demonstrated that almost all the electronic orbitals are strongly localized and the hybridization with the others is very small, but the Mg–F bonds covalency is relatively stronger than that of Sr–F bonds.

Large size of low-temperature phase SrMgF4 crystal was obtained (right) and its electronic structure was investigated by X-ray photoelectron spectroscopy and first-principles calculation (left).Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Solid State Chemistry - Volume 236, April 2016, Pages 89–93
نویسندگان
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