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Electronic structures of solids

Electronic structure is the basis feature of the solids that separate conductors, semiconductors and dielectrics. It determines such properties of the matter as conductivity, characteristics of its interaction with radiation and secondary electronic processes. Without the knowledge of the electronic structure of matter it is impossible to effectively develop different devices - transistors, LEDS, sensors, optical elements, phosphors and so on.

Along with a number of direct and indirect experimental methods of the electronic structure investigation there exist different ab-initio theoretical methods of electronic structure calculation. Theoretical methods could be used both for the verification of experimental results and also as the only way to obtain the electronic structure when the experimental results unavailabe or do not provide enought information about the electronic states and zones. Ab-initio methods is also the very powerful tool for the investigation of electronic structure dependence on the structural peculiarities of solid state. Examples of features which can be calculated by Kintech Lab based on its many-years expertise in this area:

  • band structures
  • projected density of states
  • spin polarization
  • spin and charge localization/delocalization
  • Fermi surface topology

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