Rui XIONG
,
Jing SHI
材料科学技术（英文）
TixAl1-xN films have been prepared by RF reactive magnetron sputtering. X-ray diffraction results showed that TixAl1-xN thin films in this study were hexagonal wurtzite structure with the Ti content up to 0.18. X-ray photoelectron spectrocopy studies provided that the N1s core-electron spectrum of TixAl1-xN thin film brodend with increasing Ti content, and the difference of the chemical shifts for Ti2p3/2 line between TiN and TixAl1-xN thin film was 0.7 eV.
关键词:
TixAl1-xN films
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null
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null
Rui XIONG
材料科学技术（英文）
The electronic structure of the quasi-two-dimensional (2D) semiconducting molybdenum purple bronze Bi0.2MoO3 was presented by X-ray photoemission spectroscopy. The valence band of Bi0.2MoO3 is made up of Opπ non-bonding level, π and σ bonding bands. The peak at 1.5 eV and the shoulder at 0.5 eV in the forbidden band may be formed from the non-bonding dxy orbitals of some Mo atoms. The O1s core-level spectrum demonstrates the presence of two inequivalent bonds of oxygen ions in Bi0.2MoO3. Bi4f core-level spectrum shows two bonding characters of Bi atoms in bismuth molybdenum single crystal. Mo3d core-level spectrum confirms two kinds of valence states of Molybdenum (Mo+5 and Mo+6). Ar+ ion irradiation induces more significant distortion of MoO6 octahedra.
关键词:
Bi0.2MoO3 single crystal
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null
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null
崔冬萌
,
贾锐
,
谢泉
,
赵珂杰
稀有金属材料与工程
采用基于密度泛函理论的第一性原理赝势平面波计算方法,结合广义梯度近似(GGA)对Ru2Si3掺入Mn的电子结构和光学性质进行了研究.计算结果表明:掺入这种杂质使得Ru2Si3的晶胞体积均有所增大.Ru2Si3中掺入Mn时,Mn原子替换RuI位的Ru原子使得体系处于稳定态,导电类型变为p型,静态介电函数ε1(0)非常大,同时折射率n0的值变化较大,达到了17.722.
关键词:
掺杂Ru2Si3
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电子结构
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光学性质
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第一性原理
