Janosch Maier

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  • R A Evarestov, E A Kotomin, Yu A Mastrikov, D Gryaznov, E Heifets, J Maier
  • 2005
We compare two approaches to the atomic, electronic, and magnetic structures of LaMnO 3 bulk and the ͑001͒, ͑110͒ surfaces—hybrid B3PW with optimized LCAO basis set ͑CRYSTAL-2003 code͒ and GGA-PW91 with plane-wave basis set ͑VASP 4.6 code͒. Combining our calculations with those available in the literature, we demonstrate that combination of nonlocal(More)
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