是什么决定了 Nb/AlO 和 Nb/MgO 界面的界面构型。

What determines the interfacial configuration of Nb/AlO and Nb/MgO interface.

机构信息

State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871, P. R. China.

State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, 710049, P. R. China.

出版信息

Sci Rep. 2016 Oct 4;6:33931. doi: 10.1038/srep33931.

DOI:10.1038/srep33931

PMID:27698458

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5048433/

Abstract

Nb films are deposited on single crystal AlO (110) and MgO(111) substrates by e-beam evaporation technique. Structure of Nb films and orientation relationships (ORs) of Nb/AlO and Nb/MgO interface are studied and compared by the combination of experiments and simulations. The experiments show that the Nb films obtain strong (110) texture, and the Nb film on AlO(110) substrate shows a higher crystalline quality than that on MgO(111) substrate. First principle calculations show that both the lattice mismatch and the strength of interface bonding play major roles in determining the crystalline perfection of Nb films and ORs between Nb films and single crystal ceramic substrates. The fundamental mechanisms for forming the interfacial configuration in terms of the lattice mismatch and the strength of interface bonding are discussed.

摘要

采用电子束蒸发技术在单晶 AlO（110）和 MgO（111）衬底上沉积 Nb 薄膜。通过实验和模拟的结合，研究并比较了 Nb 薄膜的结构以及 Nb/AlO 和 Nb/MgO 界面的取向关系（OR）。实验表明，Nb 薄膜获得了强（110）织构，并且 AlO（110）衬底上的 Nb 薄膜比 MgO（111）衬底上的 Nb 薄膜具有更高的结晶质量。第一性原理计算表明，晶格失配和界面结合强度都对 Nb 薄膜的结晶完整性和 Nb 薄膜与单晶陶瓷衬底之间的 OR 起着重要作用。讨论了基于晶格失配和界面结合强度形成界面构型的基本机制。