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Cr adsorption induced magnetism in Bi2Se3 film by proximity effects
Affiliation:1. College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, Henan 453007, China;2. Department of Physics, Zhengzhou Normal University, Zhengzhou, Henan 450044, China;3. Department of Physics, Fudan University, Shanghai, China;1. Department of Applied Physics, Institute of Nanosensors and Biotechnology, Dankook University, Yongin 448-701, Republic of Korea;2. Korea Institute of Science and Technology, Seoul 136-791, Republic of Korea;3. School of Information and Communications, Gwangju Institute of Science and Technology, Gwangju 500-712, Republic of Korea;4. Department of Applied Physics, The University of Tokyo, Tokyo 113-8654, Japan;5. Institute for Solid State Physics, The University of Tokyo, Kashiwa, Chiba 277-8581, Japan;1. Institut d’Electronique Fondamentale, Université Paris-Sud, CNRS, UMR 8622, F-91405 Orsay, France;2. Lycée Jacques Prévert, F-27500 Pont-Audemer, France;3. Russian Quantum Center, 100 Novaya Street, Skolkovo, Moscow region 143025, Russia;4. Laboratoire Interdisciplinaire des Energies de Demain (LIED), UMR 8236 Université Paris Diderot, CNRS, 5 Rue Thomas Mann, 75013 Paris, France;1. Beijing Municipal Key Lab of Advanced Energy Materials and Technology, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China;2. Energy Storage and Novel Technology of Electrical Engineering Department, China Electric Power Research Institute Limited Company, Beijing, 100192, China;3. Department of Physics and Astronomy, Clemson University, Clemson, SC 29634, USA
Abstract:Based on first-principles calculations within density functional theory, we studied the effects of Cr adsorption on the electronic and magnetic properties of Bi2Se3 topological insulators employing spin–orbit coupling (SOC) self-consistently. Cr atom induces a spin-polarization with total net magnetic moments of 2.157 μB (spin up). There is a p-d hybridization between the Cr 3d states and the nearest neighbor Se 4p states. A peak of density of states appears at Fermi level. The electronic structures change and the energy levels split near the Fermi level. No gap opening has been found at the Dirac point of the surface state from the bottom surface.
Keywords:Topological insulator  First-principles  Spin–orbit effects
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