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Z.Y. Jiao

Henan Normal University

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Featured researches published by Z.Y. Jiao.

Molecular Physics | 2009

Theoretical study of the local lattice structure for Mn2+ in the K2MgF4:Mn2+ system

Z.Y. Jiao; S.-H. Ma; Xiao-Yu Kuang; Xiao-Niu Zhang; Tianxing Wang

A detailed theoretical method for studying the local lattice structure of Mn2+ ions in the (MnF6)4− coordination complex is presented. Based on the complete energy matrices for a d5 configuration ion in a tetragonal ligand field, the relationship between the defect structure and the zero-field splitting (ZFS) parameters are derived. By analysing the ZFS parameters of Mn2+ located at the tetrahedral site in the K2MgF4 crystal, the local lattice structure of the K2MgF4:Mn2+ system was investigated. From our calculations, local lattice structure parameters R 1 = 2.0385A and R 2 = 2.0558A at room temperature (295 K) and R 1 = 1.9253A and R 2 = 1.9329A at low temperature (4.2 K) were determined.

Journal of Materials Science | 2012

Structural, elastic, electronic, and optical properties of defect-chalcopyrite structure CdGa2X4 (X = S, Se) compounds

Shu-Hong Ma; Z.Y. Jiao; Xiao-Niu Zhang

Surface Science | 2014

First-principles studies of oxygen chemisorption on Co(0001)

S.H. Ma; Z.Y. Jiao; Tianxing Wang; X.Q. Dai

Journal of Alloys and Compounds | 2016

Phase stability, mechanical properties and lattice thermal conductivity of ceramic material (Nb1−xTix)4AlC3 solid solutions

Z.Y. Jiao; Tianxing Wang; Shu-Hong Ma

Computational and Theoretical Chemistry | 2011

Simulation of optical function for phosphide crystals following the DFT band structure calculations

Z.Y. Jiao; S.H. Ma; Y.-L. Guo

Journal of Alloys and Compounds | 2017

First-principles investigations of phase stability, mechanical, thermal and optical properties of Ti3(Al1-xSix)C2 solid solutions

Z.Y. Jiao; Yameng Li; Shu-Hong Ma

Solid State Sciences | 2015

High-pressure phase stability, mechanical properties and bonding characteristics of Ti4GeC3 compound

Z.Y. Jiao; S.H. Ma; Tianxing Wang

European Physical Journal B | 2014

High pressure phase stability, mechanical and optical properties of Ti4SiC3 compound: ab initio study

Z.Y. Jiao; Shu-Hong Ma; Tianxing Wang

Applied Surface Science | 2016

Adsorption and decomposition of H2O on cobalt surfaces: A DFT study

F.F. Ma; S.H. Ma; Z.Y. Jiao; X.Q. Dai

Computational and Theoretical Chemistry | 2013

Alkali metal induced effects on coadsorbed carbon monoxide on Co(0 0 0 1): A density functional theory study

S.H. Ma; Z.Y. Jiao; Xiaoqian Zhang; X.Q. Dai

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S.H. Ma

Henan Normal University

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Tianxing Wang

Henan Normal University

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X.Q. Dai

Henan Normal University

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Shu-Hong Ma

Henan Normal University

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Xiao-Niu Zhang

Henan Normal University

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Zongxian Yang

Henan Normal University

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F.F. Ma

Henan Normal University

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Yameng Li

Henan Normal University

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H. Y. Xiao

University of Electronic Science and Technology of China

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S.-H. Ma

Sichuan University

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