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2 results on '"Jia-Nan Sheng"'

1. Lattice dynamics properties of chalcopyrite ZnSnP 2 : Density-functional calculations by using a linear response theory

Author

Jia-Nan Sheng, Yu-Jing Dong, You Yu, Xiao-Lin Zheng, Yan-Hong Shen, and Guo Dong Zhao

Subjects
Lattice dynamics, Permittivity, Materials science, Condensed matter physics, Phonon, Chalcopyrite, Wave propagation, General Physics and Astronomy, 02 engineering and technology, Dielectric, 021001 nanoscience & nanotechnology, 01 natural sciences, Effective nuclear charge, Sulfide minerals, visual_art, 0103 physical sciences, visual_art.visual_art_medium, 010306 general physics, 0210 nano-technology
Published
2017

2. Lattice dynamics properties of chalcopyrite ZnSnP 2 : Density-functional calculations by using a linear response theory.

Author

You Yu, Yu-Jing Dong, Yan-Hong Shen, Guo-Dong Zhao, Xiao-Lin Zheng, and Jia-Nan Sheng

Subjects
MATHEMATICS, CHALCOPYRITE, LATTICE dynamics, DENSITY functionals, SULFIDE minerals
Abstract

We present a first-principles study of the structural, dielectric, and lattice dynamical properties for chalcopyrite semiconductor ZnSnP2. The structural properties are calculated using a plane-wave pseudopotential method of density-functional theory. A linear response theory is used to derive Born effective charge tensors for each atom, dielectric constants in low and high frequency limits, and phonon frequencies. We calculate all zone-center phonon modes, identify Raman and infrared active modes, and report LO–TO splitting of the infrared modes. The results show an excellent agreement with experiment and propose several predictive behaviors. [ABSTRACT FROM AUTHOR]

Published
2017
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