Structure determination and electronic structure of Cu3Au 0.5N

被引：0

作者：

Soto, G. ^{[1
]}

Ponce, I. ^{[2
]}

Moreno, M.G. ^{[1
]}

Yubero, F. ^{[3
]}

De La Cruz, W. ^{[1
]}

机构：

[1] Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología, Km. 107 Carretera Tijuana-Ensenada, CP 22860 Ensenada, B.C., Mexico

[2] Centro de Investigación Científica y de Educación Superior de Ensenada (CICESE), Carretera Tijuana-Ensenada No. 3918, A. Postal 360, 22860 Ensenada, B.C., Mexico

[3] Instituto de Ciencia de Materiales de Sevilla (CSIC-USE), Avda. Américo Vespucio 49, E-41092 Sevilla, Spain

来源：

Journal of Alloys and Compounds | 2014年 / 594卷

关键词：

Wide band gap semiconductors - Copper alloys - Electronic structure - Binary alloys - Reactive sputtering - Gold alloys;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

This study investigated the formation of a Cu3Au-nitride alloy using both experimental and computational methods. The alloy was produced as thin film by sputtering a Cu3Au target in a nitrogen atmosphere. The films were characterized for structure and composition by spectroscopic and diffraction techniques. The structure was established by Rietveld and ab inito methods. The structure is cubic and of the Fm3m space group, with a composition close to Cu6AuN2. Relative to the Cu3N structure, the Cu atoms occupy the faces, Au the half corners, and N the centers. The compound is a narrow-gap semiconductor with a positive hall coefficient that could be used for infrared detection. © 2014 Elsevier B.V. All rights reserved.

引用

页码：48 / 51