LIU Qing-sheng, TAN Cheng-liang, CHENG Hua-jin etc. Energy Band Structure and Thermal Radiation Properties of (Mg,Cr) Codoped LaFeO<sub>3</sub> Based Composite Powders[J]. Chinese Journal of Luminescence, 2019,40(11): 1348-1358
LIU Qing-sheng, TAN Cheng-liang, CHENG Hua-jin etc. Energy Band Structure and Thermal Radiation Properties of (Mg,Cr) Codoped LaFeO<sub>3</sub> Based Composite Powders[J]. Chinese Journal of Luminescence, 2019,40(11): 1348-1358 DOI: 10.3788/fgxb20194011.1348.
Energy Band Structure and Thermal Radiation Properties of (Mg,Cr) Codoped LaFeO3 Based Composite Powders
powders were prepared by high temperature solid state reaction at 1 300℃ for 2 h. In order to study the theoretical mechanism affecting the emissivity
the phases structure of the material and the emission characteristics in near-infrared band were analyzed and characterized by XRD
FT-IR
SEM
XPS and Upward IntegratIRTM
etc
the electronic structure was analyzed by first-principles calculation. The results show that the emissivity of the powder in the 1-5 m band increases
but the absorption rate of the Cr single-doped sample increases little
while the Mg-Cr co-doped powder increases greatly
and the absorption rate in the near-infrared above 0.9. The reason is that the crystal is distorted after Cr single-doped
but the concentration of free carriers does not increase. After Mg-Cr co-doped
the distortion is intensified and more oxygen vacancies and small polarized molecules are formed
which enhance the free carriers absorbtion. The hybrid energy level that formed by orbitals of Cr 3d and O 2p causes the powder forbidden band width to be narrowed
the same as the Cr 3d orbital in the near-Fermi level conduction zone. Although Mg does not directly affect the band gap value
it indirectly changs the morphology of B-position elemens
and more small polarized molecules are produced. Therefore
comopared with the LafeO
3
band gap value (3.817 eV)
the Mg-Cr co-doped(0.109 eV) has the largest decrease
and the single-adoped(2.406 eV) secondly.
关键词
Keywords
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