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      First-principles and molecular dynamics study of thermoelectric transport properties of N-type silicon-based superlattice-nanocrystalline heterostructures

      , , ,
      Journal of Applied Physics
      AIP Publishing

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          Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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            Complex thermoelectric materials.

            Thermoelectric materials, which can generate electricity from waste heat or be used as solid-state Peltier coolers, could play an important role in a global sustainable energy solution. Such a development is contingent on identifying materials with higher thermoelectric efficiency than available at present, which is a challenge owing to the conflicting combination of material traits that are required. Nevertheless, because of modern synthesis and characterization techniques, particularly for nanoscale materials, a new era of complex thermoelectric materials is approaching. We review recent advances in the field, highlighting the strategies used to improve the thermopower and reduce the thermal conductivity.
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              Modeling solid-state chemistry: Interatomic potentials for multicomponent systems

              J Tersoff (1989)
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                Author and article information

                Journal
                Journal of Applied Physics
                Journal of Applied Physics
                AIP Publishing
                0021-8979
                1089-7550
                August 28 2017
                August 28 2017
                : 122
                : 8
                : 085105
                Article
                10.1063/1.5000356
                dde9e062-e792-4999-a257-afebb4d9e961
                © 2017
                History

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