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FeS₂多晶薄膜电子结构的实验研究

Experimental studies on the electronic structure of pyrite FeS₂ films prepared by thermally sulfurizing iron films

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【Author】 Zhang Hui~ 1) Wang Bao-Yi~ 1) Zhang Ren-Gang~ 1) Zhang Zhe~ 1) Qian Hai-Jie~ 2) Su Run~ 2) Kui Re-Xi~ 2) Wei Long~ 1) 1)(Key Laboratory of Nuclear Analysis Techniques,Institute of High Energy Physics, Chinese Academy of Sciences,Beijing 100049,China)2)(Synchrotron Radiation Laboratory,Institute of High Energy Physics, Chinese Academy of Sciences,Beijing 100049,China)

【机构】中国科学院高能物理研究所核分析技术重点实验室；中国科学院高能物理研究所北京同步辐射实验室；中国科学院高能物理研究所核分析技术重点实验室北京100049；北京100049；

【摘要】用磁控溅射方法制各纯Fe薄膜,并硫化合成FeS2.采用同步辐射X射线近边吸收谱与X射线光电子能谱研究了薄膜的电子结构.结果表明,合成的FeS2薄膜,在费米能级附近,有较强的Fe3d态密度存在,同时,在价带谱中2—10eV处有强度较大的S3p态密度存在;Fe的3d轨道在八面体配位场作用下分别为t2g和eg轨道,实验中由Fe的吸收谱计算得到两分裂能级之差为2·1eV;实验测得FeS2价带结构中导带宽度约为2·4eV,导带上方仍存在第二能隙,其宽度约为2·8eV.更多还原

【Abstract】 Pyrite FeS₂ films have been prepared by thermally sulfurizing iron films deposited by magnetron sputtering.The electronic structures were studies by X_ray absorption near edge structure and X_ray photoemission spectrum. The results show that an S 3p valence band with relatively higher intensity compared to the calculation exists in 2—10eV range and a high density below the Fermi level of Fe 3d states were detected.A second gap of 2.8eV in the unoccupied density of states was found above the conduction band which was 2.4eV by experimentally calculation.The difference between t2g and e_g which were formed in an octahedral crystal field was computed to be 2.1eV.更多还原