论文标题
深入了解稀土$ re = ce的效果，\; nd，\; GD $元素基于PB的孔子氧化物的物理性能（$ PBREO_3 $）
Insight into the effect of rare earth $RE=Ce,\; Nd,\; Gd$ elements on the physical properties of Pb-Based Pervoskite Oxides ($PbREO_3$)
论文作者
论文摘要
基于Pb的Cubic Perovskites的电子，弹性，结构，热电和光学参数$ PBREO_3 \; （re = ce，\; gd，\; nd）$是使用wien2k软件包计算的。评估了机械优化和结构稳定性。发现的结果与实验结果完全一致。获得的弹性结果表明，这些钙钛矿的行为稳定，其较高的$ y $值为它们提供了刚性的结构。 $ pbceo_3 $呈现n型半导体，$ pbreo_3 \; （re = gd，\; nd）$展示$ 2.60 \; ev $，$ 1.02 \; ev $; ev $和$ 1.55 \; ev $的P型半导体。光学属性表明$ pbreo_3 \; （re = ce，\; gd，\; nd）$在反射率低的可见光区域具有显着的吸收。热电特性在室温下为所有材料提供了所需的电气性能。对于这些产生的材料，可以在热电，机械和光电设备的制造中利用RE对基于PB的立方钙钛矿氧化物的影响。
The electronic, elastic, structural, thermoelectric and optical parameters of the Pb-based cubic perovskites $PbREO_3\; (RE=Ce,\; Gd,\; Nd)$ were calculated using the WIEN2k Package. The mechanical optimization and structural stabilities were evaluated. The found results are in full agreement with the experimental ones. The obtained elastic results show that these perovskites behave as stable ductile materials, and their higher $Y$ value gives them a rigid structures. The $PbCeO_3$ presents n-type semiconductor while $PbREO_3\; (RE= Gd,\; Nd)$ exhibit p-type semi-conductor with gap energies of $2.60\;eV$, $1.02\;eV$ and $1.55\;eV$, respectively. The optical properties show that $PbREO_3\; (RE=Ce,\; Gd,\; Nd)$ have significant absorption in the visible light region with low reflectivity. The thermoelectric properties present a desired electrical performance at room temperature for all materials. For these generation of materials the effect of RE on Pb-based cubic perovskite oxides can be exploited in manufacturing of thermoelectric, mechanic and optoelectronic devices.
