Charge Distribution in the Single Crystalline Ti2AlN Thin Films Grown on MgO(111) Substrates

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• 作者：Zheng Zhang ; Yanguang Nie ; Lu Shen ; Jianwei Chai ; Jisheng Pan ; Lai Mun Wong ; Michael B. Sullivan ; Hongmei Jin ; Shi Jie Wang
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：June 6, 2013
• 年：2013
• 卷：117
• 期：22
• 页码：11656-11662
• 全文大小：466K
• 年卷期：v.117,no.22(June 6, 2013)
• ISSN：1932-7455

文摘

Single crystalline Ti₂AlN thin films have been grown on MgO(111) substrates at 750 掳C using DC magnetron sputtering from a Ti₂Al alloy target in a mixed N₂/Ar plasma. X-ray diffraction, atomic force microscopy, and transmission electron microscopy demonstrate layered growth of a Ti₂AlN{0002} thin film on the MgO(111) substrate. X-ray photoelectron spectroscopy detects a TiN-like conducting nature of the Ti₂AlN thin film. However, the binding energies (BEs) of Ti 2p_3/2 and Al 2p have shifted to 454.7 卤 0.2 and 72.3 卤 0.2 eV, respectively, lower than their corresponding values in nitrides (TiN and AlN). The BE of Al 2p is even lower than that in metallic Al. The unusual shifts are attributed to charge transfer from Ti to Al as shown by the density functional theory calculations.