Aluminum Doped Germanene Nanoribbons: A First Principles Investigation. Issue 204 (2nd January 2020)

• Record Type: Journal Article
• Authors: Sharma, Varun; Srivastava, Pankaj
• Is Part Of: Integrated ferroelectrics. Issue 204(2020)
• Page Start: 58
• Page End: 62
• Publication Date: 2020-01-02
• Subjects: GeNR -- band structures -- DOS-profile -- Al-doping; Ferroelectric devices -- Periodicals; Integrated circuits -- Periodicals; 537.244805
• DOI: 10.1080/10584587.2019.1674989
• Languages: English
• ISSNs: 1058-4587

Abstract

Abstract: The purpose of current investigation is to analyze the impact of Al when introduced as an impurity from Al-substrate to germanene monolayers using first principles approach. Here, zigzag germanene nanoribbons (ZGeNR) with Al as dopant were studied at various sites viz. center (C-doped), edge (E-doped), nearedge (NE-doped). Formation energy calculations have been performed to show that Al-doping is preferred at the edge site, thus E-doped ZGeNR (EFE = −3.46 eV) emerges as most stable configuration. Further, based on band structure and DOS profile analysis we reveal that unlike semi-metallic pristine ZGeNR, Al-doped ZGeNR are metallic in nature, promoting their utilities as nanoscale interconnects.