The structural and electronic properties of sulfur-doped armchair stanene nanoribbons (ASnNRs) have been investigated using Density Functional Theory (DFT). The diverse structural and electronic characteristics induced by the substitution of sulfur atoms were comprehensively analyzed through first-principles calculations, including formation energy, optimized structural parameters, projected density of states (PDOS), and spatial charge density distribution. Various doping configurations were considered by replacing Sn atoms with S at different concentrations and atomic positions, resulting in characteristic doping types such as single-atom doping (top-1S, valley-1S), two-atom doping (ortho, meta, para), and full 1:1 substitution with a 6Sn–6S structure. The results reveal significant changes in the bandgap, increasing slightly from 0.26eV in the pristine state to approximately 0.34eV in the meta configuration, moderately decreasing to 0.15eV in the 100% substitution case, and sharply decreasing in the other configurations. Moreover, most sulfur-doped configurations exhibit non-magnetic behavior similar to pristine ASnNRs, while strong magnetism emerges only in the fully substituted 100% case. These findings demonstrate that sulfur doping can fundamentally modify the electronic and magnetic properties of the material, highlighting its potential application in future spintronic devices.
Publication Information
Publisher
Thu Dau Mot University, Viet Nam
Honorary Editor-in-Chief and Chairman of the Editorial Board
Assoc. Prof. Nguyen Van Hiep
Deputy Editor-in-Chief
PhD. Trần Hạnh Minh Phương Thu Dau Mot University
Editorial Board
Prof. Tran Van Doan Fujen University, Taiwan
Prof. Zafar Uddin Ahmed Vietnam National University Ho Chi Minh City
Prof.Dr. Phillip G.Cerny The University of Manchester, United Kingdom
Prof. Ngo Van Le University of Social Sciences and Humanities (VNU-HCM)
Prof. Bui The Cuong Southern Institute of Social Sciences
Prof. Le Quang Tri Can Tho University
Assoc. Prof. Nguyen Van Duc Animal Husbandry Association of Vietnam
Assoc. Prof. Ted Yuchung Liu National Pingtung University, Taiwan
PhD. Anita Doraisami Economics Monash University, Australia
Prof. Dr. Andrew Seddon Asia Pacific University of Technology & innovation (APU)
Assoc. Prof. Le Tuan Anh Thu Dau Mot University
Prof. Abtar Darshan Singh Asia Pacific University, Malaysia
Prof.Dr. Ron W.Edwards The University of Melbourne, Australia
Assoc. Prof. Hoang Xuan Nien Thu Dau Mot University
PhD. Nguyen Duc Nghia Vietnam National University Ho Chi Minh City
PhD. Bao Dat Monash University (Australia)
PhD. Raqib Chowdhury Monash University (Australia)
PhD. Nguyen Hoang Tuan Thu Dau Mot University
PhD. Nguyen Thi Lien Thuong Thu Dau Mot University