کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1594084 | 1515643 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ab initio characterization of ββ-MnAs
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this work is studied the electronic structure and phase stability of orthorhombic (B31) ββ-MnAs, which is compared with hexagonal (B82) αα-MnAs. In both phases the magnetic moment on the Mn atom decreases monotonically under lattice compression. The electronic effect which arises from the αα→→ββ geometrical distortion with increasing temperature is reminiscent of a second-order static Jahn–Teller effect. From the characteristics of the calculated Fermi surfaces is found evidence for the larger resistivity experimentally observed in the ββ-phase, which exhibits unfavorable conditions for the formation of open orbits. The results indicate that the structural transition (318 K) is driven by nesting of the Fermi surfaces.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 150, Issues 47–48, December 2010, Pages 2294–2298
Journal: Solid State Communications - Volume 150, Issues 47–48, December 2010, Pages 2294–2298
نویسندگان
C. Paduani,