<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Baettig, Pio</dc:creator>
  <dc:creator>Seshadri, Ram</dc:creator>
  <dc:creator>Spaldin, Nicola A.</dc:creator>
  <dc:date>2007-07-21</dc:date>
  <dc:description xmlns:ns0="xml" ns0:lang="en">The structure and properties of the possible multiferroic, BiMnO₃, are calculated using the LDA+&lt;i&gt;U&lt;/i&gt; method of density functional theory. The symmetry is found to be centrosymmetric &lt;i&gt;C&lt;/i&gt;2/&lt;i&gt;c&lt;/i&gt; with zero ferroelectric polarization. The stereochemically active Bi lone pairs form local dipole moments which order in an anti-polar arrangement.</dc:description>
  <dc:format>application/pdf</dc:format>
  <dc:identifier>https://folia.unifr.ch/global/documents/300745</dc:identifier>
  <dc:identifier>https://folia.unifr.ch/documents/300745/files/baettig_api.pdf</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>info:eu-repo/semantics/altIdentifier/doi/10.1021/ja073415u</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>License undefined</dc:rights>
  <dc:source>Journal of the American Chemical Society. - 2007, vol. 129, no. 32, p. 9854 -9855</dc:source>
  <dc:subject>info:eu-repo/classification/udc/54</dc:subject>
  <dc:title xmlns:ns1="xml" ns1:lang="en">Anti-polarity in ideal BiMnO₃</dc:title>
  <dc:type>http://purl.org/coar/resource_type/c_6501</dc:type>
</oai_dc:dc>