MIAO Qiang, WU Dewei, HE Jing, et al., “Approach to Inversion Design of Dielectric Material Based on the First-Principle,” Chinese Journal of Electronics, vol. 26, no. 1, pp. 50-57, 2017, doi: 10.1049/cje.2016.10.027
Citation: MIAO Qiang, WU Dewei, HE Jing, et al., “Approach to Inversion Design of Dielectric Material Based on the First-Principle,” Chinese Journal of Electronics, vol. 26, no. 1, pp. 50-57, 2017, doi: 10.1049/cje.2016.10.027

Approach to Inversion Design of Dielectric Material Based on the First-Principle

doi: 10.1049/cje.2016.10.027
Funds:  This work is supported by the National Natural Science Foundation of China (No.61603413, No.61573372, No.61104056).
  • Received Date: 2014-08-21
  • Rev Recd Date: 2014-12-30
  • Publish Date: 2017-01-10
  • The first-principle is an effective method for the material property calculation. One inversion design idea of dielectric material based on the first-principle was put forward. In this kind of material design thought, the specific demanded dielectric property of material is the starting point of the whole design course. The atomic structure characteristic of the material is solved using the inversion model based on the first-principle. And the key issues needing researching were discussed, these problems were quantized structure of electromagnetic and optic field, the quantized polarization theory of dielectric material, the uniform calculation method of dielectric property and the dielectric material inversion model.
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  • K. Chen, H.B. Zeng and H. Hu, "Radar stealth material study", Modern Defense Technology, Vol.33, No.1, pp.59-63, 2005.
    M. Chen, C.F. Li and M. Xu, "Eye-protection glasses against YAG laser injury based on the band gap reflection of one-dimensional photonic crystal", Optics Laser Technology, Vol.39, No.1, pp.214-218, 2007.
    L. Zhang, Y. Jiaand Q.F. Ren, "Nano-composite stealthy material research on the rivalry of area exact homing weapon", Nanoscience & Nanotechnology, Vol.9, No.5, pp.12-15, 2008.
    J. Chen, X.G. Huang and L.X. Wang, "Preparation and properties of multiple-band stealth functional filler", Journal of Functional Materials, Vol.41, No.10, pp.1842-1848, 2010.
    P.H. Xu, M.X. Zhang and H.M. Sun, "Laser/radar compatible stealthy materials", Aerospace Materials & Technology, Vol.37, No.4, pp.40-41, 2007.
    Y.D. Sun, "Photoelectric information functional material and quantum physics", Laser & Optronics Progress, Vol.40, No.11, pp.22-25, 2003.
    D.C. Liang and Q.S. Li, "The effect of photodetector configuration on the photoresponse properties", Laser technology, Vol.33, No.2, pp.159-161, 2009.
    Z.R. Liu and J.C. Xie, "I-V and photoelectricity properties of ZnO/Si heterojunction on different substrate", Journal of University of Science and Technology of China, Vol.38, No.11, pp.1263-1266, 2008.
    J.J. Xiong, Material Design, Press of Tianjin University, Tianjin, China, pp.19-23, 2002.
    Z.Z. Hou, "Application of artificial neural network in material design", Ph.D. Thesis, Hebei industrial university, China, 2003.
    J.C. Zhao, "Introduction of the materials genome initiative", Chinese Journal of Nature, Vol.36, No.2, pp.89-104, 2014.
    G.M. Rignanese and X. Gonze, "First principles study of dynamical and dielectric properties of tetragonal zirconia", Physical Review B, Vol.64, No.13, pp.1343011-1343017, 2001.
    C.C. Wang and R. Ramprasad, "Dielectric properties of organosilicons from first principles", Journal of Material Science, Vol.46, pp.90-93, 2011.
    F. Giustino, P. Umari and A. Pasquarello, "Dielectric discontinuity at interfaces in the atomic-scale limit:Permittivity of ultrathin oxide films on silicon", Physical Review Letters, Vol.91, No.26, pp.267601-267607, 2003.
    T. Chen and C.L. Kuo, "First principles study of the structural, electronic, and dielectric properties of amorphous HfO2", Journal of Applied. Physics, Vol.110, No.6, pp.06410501-06410509, 2011.
    Y.X. Huang, Q.X. Cao and Z.M. Li, "First-principles calculation of microwave dielectric properties of Al-doping ZnO powders", Acta Physica Sinica, Vol.58, No.11, pp.8002-8007, 2009.
    S. Hamel and A.J. Williamson, "First-principles calculations of the dielectric properties of silicon nanostructures", Applied Physics Letters, Vol.92, No.4, pp.04311501-04311503, 2008.
    M. Akdogan and R. Eryigit, "First-principles calculations on vibrational and dielectric properties of chalcopyrite CuGaS2", J of Physics:Condens. Matter, Vol.14, No.10, pp.7493-7502, 2002.
    Y.Q. Cai, "First-principle calculation of dielectric property of Si3N4 and BN", Ph.D. Thesis, Northwestern polytechnical university, China, 2007.
    W.C. Wang, "First-principle study of dielectric property of Y2O3", Ph.D. Thesis, Xidian University, China, 2011.
    Q.C. Chen, "First-principle calculation of dielectric property of AlN and MgAl2O4", Ph.D. Thesis, Xidian University, China, 2012.
    X. Gonze and C. Lee, "Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory", Physical Review B, Vol.55, No.16, pp.10355-10368, 1997.
    X. Gonze, D.C. Allan and M.P. Teter, "Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory", Physical Review Letters, Vol.68, No.24, pp.3603-3606, 1992.
    E.K. Liu, B.S. Zhu and J.S. Luo, Physics of Semiconductor, Press of Electron Industry, Beijing, China, pp.322-328, 2008.
    L.H. Xiao, "First-principle calculation and experimental study of optical property of LaB6", Ph.D. Thesis, Kunming university of science and technology, China, 2010.
    L. Wang, X.S. Chen and W. Lu, "Optical properties of amorphous semiconductor mercury cadmium telluride from firstprinciples study", Science of China E, Vol.52, No.7, pp.1928-1931, 2009.
    N. Korozlu, K. Colakoglu and E. Deligoz, "The effects of concentration on the electronic and optical properties in CdxZn1-xS ternary alloys", Journal of Physics:Status Solid B, Vol.247, No.5, pp.1214-1219, 2010.
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