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Title: Tuning magnetism of monolayer MoS{sub 2} by doping vacancy and applying strain

In view of important role of inducing and manipulating the magnetism in two-dimensional materials for the development of low-dimensional spintronic devices, the influences of strain on electronic structure and magnetic properties of commonly observed vacancies doped monolayer MoS{sub 2} are investigated using first-principles calculations. It is shown that unstrained V{sub S}, V{sub S2}, and V{sub MoS3} doped monolayer MoS{sub 2} systems are nonmagnetic, while the ground state of unstrained V{sub MoS6} doped system is magnetic and the magnetic moment is contributed mainly by six Mo atoms around V{sub MoS6}. In particular, tensile strain can induce magnetic moments in V{sub S}, V{sub S2}, and V{sub MoS3} doped monolayer MoS{sub 2} due to the breaking of Mo–Mo metallic bonds around the vacancies, while the magnetization induced by V{sub MoS6} can be effectively manipulated by equibiaxial strain due to the change of Mo–Mo metallic bonds around V{sub MoS6} under strains.
Authors:
; ; ; ;  [1] ;  [2]
  1. Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China)
  2. Department of Physics, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong (China)
Publication Date:
OSTI Identifier:
22261620
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 13; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CHEMICAL BONDS; DOPED MATERIALS; ELECTRONIC STRUCTURE; GROUND STATES; MAGNETIC MOMENTS; MAGNETISM; MOLYBDENUM SULFIDES; STRAINS; VACANCIES