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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. pdf  doi
openurl 
  Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
  Year (down) 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 28 Issue 28 Pages 195301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000374394700007 Publication Date 2016-04-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 7 Open Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:133611 Serial 4185  
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