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Photocatalytic and Photoelectronic Properties of Anatase TiO2 Modified by Plasma Surface Treatment T
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采用基于密度泛函理论线性缀加平面波方法的WIEN2k程序,计算Fe掺杂SnO2稀磁半导体的电子结构和磁性,计算中性电荷态Fe0和电荷受主......
The electronic structure, band gap and density of states of (7,7) Armchair carbon nanotube by the full potentiallin- ear......
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The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric func......
The optical properties of CdBr2 were studied by first principle using the density functional theory. The dielectric func......
The optical properties of SrHfO3,were studied by first principle using the density functional theory.The dielectric func......
The electronic structure, energy band structure, total density of states (DOS) and electronic density of perovskite SrTi......
