第一性原理研究InFeO3和In2FeCrO6的电子结构和光吸收性质

采用基于第一性原理的密度泛函理论和Hubbard修正方法(DFT+U)计算了多铁材料InFeO3和In2FeCrO6的电子结构和光吸收性质.计算结果表明,Cr掺杂InFeO3的形成能比BiFeO3要低,相对容易完成掺杂,In2FeCrO6带隙宽度相对本征InFeO3没有明显的变化,但能带的色散变小,促进了可见光吸收.通过态密度分析可知,In2FeCrO6中CBM的Fe-3d能级比InFeO3的CBM的Fe-3d能级占据数变小,局域化程度降低,能带变得比较平缓.在InFeO3和In2FeCrO6体系中,Fe和Cr的化合价约为1.7+,Fe-O和Cr-O之间的库伦作用和成键程度差异性不大,导致两者的带隙变化不明显.光吸收谱分析表明,在入射光能量2.1～2.75eV范围内,Cr的掺入改善了InFeO3的可见光的吸收性能.     

Penumbra lunar eclipse observations reveal anomalous thermal performance of Lunakhod 2 reflectors

As the signal reflected by the corner-cube reflector arrays is very weak and easily submerged during the full moon, we analyze the influence of the thermal effect of corner-cube reflector arrays on the intensity of lunar laser ranging echo. Laser ranging measurements during the penumbra lunar eclipse verify suspected thermal deformation in the Lunakhod 2 reflectors. Signal levels vary over two orders of magnitude as the penumbra eclipse progresses. This can be explained by the change in the dihedral angle of the corner-cube reflectors caused by the temperature. The results show that when the dihedral angle errors reach 1', the energy is reduced by 100 times compared with the ideal corner-cube reflector. In the experiment, our findings suggest that when the corner-cube reflector arrays enter the penumbra of the earth, the effective echo signal level which reaches 0.18 photons/s far exceeds the historical level of the full moon. However, 11 minutes after the penumbra lunar eclipse, the effective echo rate of Lunakhod 2 will drop two orders of magnitude. The mechanism can explain the acute signal deficit observed at full moon.