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1Author    P. Blaha, K. Schwarz, P. Dufek, G. Vielsack, W. WeberRequires cookie*
 Title    The Breathing Mode of B a B i0 3: Electric Field Gradient and Total Energy Calculations  
 Abstract    We present ab initio full-potential linearized augmented plane wave (LAPW) band structure calculations for BaBiOa. We focus on total energies and electric field gradients at the oxygen site and present results for the breathing mode in the experimentally observed cubic and monoclinic struc­ tures of doped and undoped Baj _JC K xB i0 3. 
  Reference    Z. Naturforsch. 49a, 129—132 (1994); received 
  Published    1994 
  Keywords    B aB i03, Total energy, Electric field gradient, Energy band structure, Breathing mode 
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 TEI-XML for    default:Reihe_A/49/ZNA-1994-49a-0129.pdf 
 Identifier    ZNA-1994-49a-0129 
 Volume    49