کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7920676 | 1511493 | 2018 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh2O4 (MÂ =Â Zn, Cd) based on first principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh2O4 (MÂ =Â Zn, Cd) based on first principles calculations Systematic study of the elastic, optoelectronic, and thermoelectric behavior of MRh2O4 (MÂ =Â Zn, Cd) based on first principles calculations](/preview/png/7920676.png)
چکیده انگلیسی
In the present study, we performed first principles total energy calculations to explore the electronic, elastic, optical, and thermoelectric behavior of MRh2O4(MÂ =Â Zn, Cd) spinel oxides. We employed Perdew-Burke-Ernzerhof-sol as well as the modified Becke and Johnson potential to compute the elastic, optoelectronic, and thermoelectric behavior of MRh2O4(MÂ =Â Zn, Cd). The optical behavior was investigated by calculating the complex dielectric constant, refractive index, optical reflectivity, absorption coefficient, and optical conductivity. All of the optical parameters indicated a shift to lower energies as the atomic size increased from Zn to Cd, thereby suggesting potential applications of the spinel oxides in optoelectronic device. Moreover, the thermoelectric properties of MRh2O4(MÂ =Â Zn, Cd) spinel oxides were computed in terms of the electrical conductivity (Ï), Seebeck coefficient (S), thermal conductivity (k), and power factor (ÏS2) using the BoltzTraP code.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 113, February 2018, Pages 157-163
Journal: Journal of Physics and Chemistry of Solids - Volume 113, February 2018, Pages 157-163
نویسندگان
Syed Adeel Abbas, Muhammad Rashid, Muhammad Ayub Faridi, Muhammad Bilal Saddique, Asif Mahmood, Shahid Muhammad Ramay,