کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5496233 | 1399838 | 2017 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Experimental and theoretical investigations of thermoelectric properties of La0.82Ba0.18CoO3 compound in high temperature region
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
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چکیده انگلیسی
Normally, understanding the temperature dependent transport properties of strongly correlated electron systems remains challenging task due to complex electronic structure and its variation (around EF) with temperature. Here, we report the applicability of DFT+U in explaining thermopower (α) and electrical conductivity (Ï) in high temperature region. We have measured temperature dependent α and Ï in the 300-600 K range. The non-monotonic temperature dependent behavior of α and metallic behavior of Ï were observed. The value of α at 300 K was â¼15.80 μV/K which decreases upto â¼477 K (â¼11.6 μV/K) and it further increases with temperature to the â¼14.8 μV/K at 600 K, whereas the values of Ï were found to be â¼1.42Ã105Ωâ1mâ1 and â¼0.20Ã105Ωâ1mâ1 at 300 and 600 K, respectively. Combining the WIEN2k and BoltzTraP code, the electronic structure and temperature dependent transport coefficients were calculated. The ferromagnetic ground state electronic structure with half-metallic character obtained from the DFT+U calculations, U = 3.1 eV, provides better explanation of high-temperature transport behavior. Two current model was used for calculation of α and Ï where the temperature dependent values of relaxation time (Ï), almost linear for up-spin, Ïup, and non-linear for dn-spin, Ïdn, were used and estimated values were found to be in good agreement with experimentally reported values.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 381, Issue 36, 25 September 2017, Pages 3101-3106
Journal: Physics Letters A - Volume 381, Issue 36, 25 September 2017, Pages 3101-3106
نویسندگان
Saurabh Singh, Devendra Kumar, Sudhir K. Pandey,