کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1515956 | 1511541 | 2014 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomistic mechanism of α-β phase transition in vanadium pentoxide
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Atomistic mechanism of α-β phase transition in vanadium pentoxide Atomistic mechanism of α-β phase transition in vanadium pentoxide](/preview/png/1515956.png)
چکیده انگلیسی
A mechanism of the α-β structural phase transition (SPT) in V2O5 is proposed. The driving force of the SPT is suggested to be the U5 shear strain transforming the orthorhombic unit cell of the α-phase into the monoclinic unit cell of the β-phase. According to the model, the SPT is characterized by a concerted displacement of V2O5 chains and is of martensitic type. Results of periodic DFT calculations performed for structures along the transformation path corroborate the proposed mechanism. The calculated height of the energy barrier is in a good agreement with the heat of transition determined experimentally for the inverse β-α transformation. Possible ways of the experimental verification of the proposed mechanism are discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 75, Issue 1, January 2014, Pages 115-122
Journal: Journal of Physics and Chemistry of Solids - Volume 75, Issue 1, January 2014, Pages 115-122
نویسندگان
Mikhail B. Smirnov, Viatcheslav Yu. Kazimirov, Rita Baddour-Hadjean, Konstantin S. Smirnov, Jean-Pierre Pereira-Ramos,