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9 results on '"Hou, Wen-ping"'

3. The Dielectric Properties for Yttrium Doped SBT Thin Films Prepared by Sol-Gel Method

Author

Fu Xinghua, Hou Wen-ping, Wu Ze, Li Wei, Dong Limin, Xu Huanyan, Han Zhidong, and Shan Lianwei

Subjects
Materials science, Doping, Dielectric, Condensed Matter Physics, Microstructure, Electronic, Optical and Magnetic Materials, Tetragonal crystal system, Chemical engineering, Control and Systems Engineering, Materials Chemistry, Ceramics and Composites, Dielectric loss, Electrical and Electronic Engineering, Thin film, Perovskite (structure), Sol-gel
Abstract

In this work, Sr0.5Ba0.5Ti1-zYzO3 (SBT) thin films were prepared on a Pt/SiO2/Si substrate by sol-gel process. The microstructures of SBT thin films were examined by IR, XRD and TEM. The influences of Y on the microstructure and dielectric properties of Sr0.5Ba0.5Ti1-zYzO3 thin films were studied. It is found that tetragonal perovskite crystal grains existed in SBT thin films. Increasing Y doping has a clear effect on the grain size of SBT. It is found that the proper Y doping content decreases dielectric loss for SBT thin films.

Published
2014

8. DFT simulation on the temperature-dependent electronic transition of V (Nb or Ta) substituted NiMn2O4.

Author

Li, Hai-Long, Bian, Liang, Chang, Ai-Ming, Jian, Ji-Kang, Hou, Wen-Ping, Gao, Lei, Zhang, Xiao-Yan, Wang, Lei, Ren, Wei, Song, Mian-Xin, and Dong, Fa-Qin

Subjects
DENSITY functional theory, TEMPERATURE effect, ELECTRON transitions, VANADIUM, NICKEL compounds, CHARGE exchange
Abstract

Previously, we reported that the - (Mn--O-) orbital hybridization induces Mn valence change (MnMn) in the octahedron. The electron transfer mechanism can be controlled by modifying the Mn- orbital in the octahedron. Here, we used the density functional theory (DFT) with generalized gradient approximation (GGA) and two-dimensional correlation analysis (2D-CA) techniques to calculate the electron transfer mechanism of the V (Nb or Ta) substituted NiMn2O4 (NMO) in the temperature range of 50-1500 K. The results show that the heat accumulation accelerates the O- orbital splitting, inducing charge disproportionation. The V- substituted Mn increases the intensity and of the partial density of state (PDOS) at conduction band (1-3 eV), this enhances the V--O- - orbital. The Nb-/Ta- substituted Mn reduces the intensity of the PDOS at conduction band (1-5 eV), this weakens the Nb-/Ta--O- - orbital. This study effectively analyzes the microscopic changes of the electron transfer caused by the heat accumulation, provides a theoretical basis for the design of NMO-based negative temperature coefficient (NTC) thermistors. [ABSTRACT FROM AUTHOR]

Published
2016
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9. DFT simulation on the temperature-dependent electronic transition of V (Nb or Ta) substituted NiMn2O4.

Author

Li, Hai-Long, Bian, Liang, Chang, Ai-Ming, Jian, Ji-Kang, Hou, Wen-Ping, Gao, Lei, Zhang, Xiao-Yan, Wang, Lei, Ren, Wei, Song, Mian-Xin, and Dong, Fa-Qin

Subjects
*DENSITY functional theory, *TEMPERATURE effect, *ELECTRON transitions, *VANADIUM, *NICKEL compounds, *CHARGE exchange
Abstract

Previously, we reported that the - (Mn--O-) orbital hybridization induces Mn valence change (MnMn) in the octahedron. The electron transfer mechanism can be controlled by modifying the Mn- orbital in the octahedron. Here, we used the density functional theory (DFT) with generalized gradient approximation (GGA) and two-dimensional correlation analysis (2D-CA) techniques to calculate the electron transfer mechanism of the V (Nb or Ta) substituted NiMn2O4 (NMO) in the temperature range of 50-1500 K. The results show that the heat accumulation accelerates the O- orbital splitting, inducing charge disproportionation. The V- substituted Mn increases the intensity and of the partial density of state (PDOS) at conduction band (1-3 eV), this enhances the V--O- - orbital. The Nb-/Ta- substituted Mn reduces the intensity of the PDOS at conduction band (1-5 eV), this weakens the Nb-/Ta--O- - orbital. This study effectively analyzes the microscopic changes of the electron transfer caused by the heat accumulation, provides a theoretical basis for the design of NMO-based negative temperature coefficient (NTC) thermistors. [ABSTRACT FROM AUTHOR]

Published
2016
Full Text
View/download PDF

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