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Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study

✍ Scribed by Choi, Heechae; Lee, Eung-Kwan; Cho, Sung Beom; Chung, Yong-Chae


Book ID
120407766
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
923 KB
Volume
111
Category
Article
ISSN
0021-8979

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Based on ab initio total energy calculations, the structural, electronic and magnetic properties of RhH alloy with both cubic and tetrahedral structures are investigated as a function of the volume. It is shown that NaCl-type cubic structure is more stable than the tetrahedral one energetically as o