Non-equilibrium dynamics for impurities in semiconductors |
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Authors: | SK Estreicher D Backlund TM Gibbons |
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Institution: | Department of Physics, Texas Tech University, Lubbock TX 79409-1051, USA |
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Abstract: | This paper summarizes the ‘first-principles’ calculations of the vibrational properties of impurities, which are critical to the optical identification of defects. The issue of temperature control for non-equilibrium molecular dynamics (NEMD) is discussed. Applications of NEMD include the calculations of the temperature-dependence of vibrational lifetimes and of the thermal conductivity of semiconductors as a function of their impurity content. |
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Keywords: | 61 72 S&minus 63 20 dk 65 80 +n 71 15 &minus m |
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