Theoretical studies of optical properties of Cu doped rocksalt CdS

详细信息    查看全文

• 作者：M. Junaid Iqbal Khan^a ; ^{drjunaid.iqbalkhan@bzu.edu.pk} ; Shahzeen Babar^a ; Azeem Nabi^b ; A. Manzoor Rana^a ; Mazhar Iqbal^a ; Saif Ur Rehman^a ; Javed Ahmad^a
• 关键词：Cadmium sulfide ; Cu-doping ; Density of states ; DFT calculations ; Optical properties
• 刊名：Journal of Alloys and Compounds
• 出版年：2017
• 出版时间：25 February 2017
• 年：2017
• 卷：695
• 期：Complete
• 页码：3605-3611
• 全文大小：993 K
• 卷排序：695

文摘

First ever optical properties study of Cu doped CdS rocksalt phase by using FP-LAPW. Optical properties, PDOS and TODS have been studied which exhibit p-type behavior. Optical properties with increasing supercell size shows experimental confirmation. Absorption spectrum shows blue shift in accordance with experimental findings. 1 × 1 × 2, 1 × 2 × 2, 2 × 2 × 1 and 2 × 2 × 2 supercell formations are considered for calculations.