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@PHDTHESIS{Thie:19395,
      author       = {Thieß, Alexander R.},
      title        = {{D}evelopment and application of a massively parallel {KKR}
                      {G}reen function method for large scale systems},
      volume       = {71},
      school       = {RWTH Aachen},
      type         = {Dr. (Univ.)},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {PreJuSER-19395},
      isbn         = {978-3-89336-906-5},
      series       = {Schriften des Forschungszentrums Jülich. Reihe
                      Schlüsseltechnologien / key technologies},
      pages        = {II, 173 S.},
      year         = {2013},
      note         = {Record converted from VDB: 12.11.2012; RWTH Aachen, Diss.,
                      2011},
      abstract     = {The impact of structural and functional materials on
                      society is often overlooked but can in fact hardly be
                      overestimated: In numerous examples, ranging from the
                      improvement of steel to the invention of light emitting
                      diodes, carbon fibers as well as cheaper and larger memories
                      for data storage, novel materials are a key to successfully
                      face global challenges on mobility, energy, communication
                      and sustainability. Most strikingly visible is this
                      influence for technologies based on electronic, optical, and
                      magnetic materials, technologies that revo- lutionize
                      computing and communication excelling mankind into the
                      information age. With the miniaturization of devices, made
                      possible by the invention of the transistor and the
                      integrated circuit, enormous and still exponentially growing
                      computing and communication capabilities are fundamentally
                      changing how we interact, work and live. Material science
                      and condensed matter physics are at the heart of the
                      invention, development, design and improvement of novel
                      materials and subsequently of novel physical phenomena and
                      processes and are thus an excellent demonstration of the
                      interdependence of science, technology and society. Advances
                      in modern material design and technology are closely linked
                      to advances in understanding on the basis of condensed
                      matter physics, statistical physics and quantum mechanics of
                      the many particle problem as well as the development of
                      powerful methods. High-performance experimental tools
                      combined with extraordinary progress in theory and
                      computational power provide insight on the microscopic
                      phenomena in materials and have paved new roads towards
                      understanding as well as raising and answering new
                      questions. On the theory side, density functional theory
                      takes a central position in this process. The ab initio
                      description of materials from the first principles of
                      quantum mechanics holds fun- damental and highly valuable
                      information on the interactions and interplay of electrons
                      in solids and contributes such to the advancement of
                      knowledge on the structural, mechanical, optical, thermal,
                      electrical, magnetic, ferroic or transport properties in
                      bulk solids, surfaces, thin films, heterostructures, quantum
                      wells, clusters and molecules. The complicated task to
                      compute material properties on the quantum mechanical level
                      of myriad of atoms in solids became first accessible by
                      exploiting the periodicity of crystalline solids and high
                      symmetry of idealized systems. Density functional theory
                      calculations exploiting the periodic boundary [...]},
      cin          = {PGI-1 / IAS-1},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      typ          = {PUB:(DE-HGF)11 / PUB:(DE-HGF)3},
      url          = {https://juser.fz-juelich.de/record/19395},
}