Study on Mechanical Properties of CaMnO3 Crystalline Material [CaMnO3晶体材料力学性能的研究] - 文章详情页

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The　elastic　constants,　bulk　modulus,　shear　modulus　and　mechanical　properties　of　the　CaMnO3　crystalline　material　have　been　systematically　researched　on　the　basis　of　density　functional　theory　together　with　the　Birch-Murnaghan　equation.　The　results　show　that　the　titled　material　has　large　C11　and　C22,it　has　large　bulk　modulus　and　shear　modulus,　the　elastic　property　is　also　moderately　anisotropic.　The　CaMnO3　crystalline　material　has　large　Young＇s　modulus　of　219.62　GPa,　it　is　hard　for　subjection　of　deformation.　The　very　small　Poisson　ratio　and　B/G　value　indicates　the　strong　brittleness,　the　hardness　of　28.255　GPa　is　also　obtained.　The　electrons　of　CaMnO3　crystalline　material　have　strong　localization　trend,　the　valance　bands　are　heavy.　The　covalent　combination　between　Mn　and　O　is　presumably　responsible　for　the　high　hardness　and　shear　modulus.　©　2019,　Chinese　Ceramic　Society.　All　right　reserved.

关键词：

CaMnO3; Elastic property; Mechanical property

作者机构：

[ 1 ] [Zhang, F.-P.]Henan Provincial Engineering Laboratory of Building-Photovoltaics, Institute of Sciences, Henan University of Urban Construction, Pingdingshan, 467036, China
[ 2 ] [Zhang, F.-P.]School of Materials Sciences and Engineering, Shijiazhuang Tiedao University, Shijiazhuang, 050043, China
[ 3 ] [Zhang, G.-L.]School of Materials Sciences and Engineering, Shijiazhuang Tiedao University, Shijiazhuang, 050043, China
[ 4 ] [Qin, G.-Q.]School of Materials Sciences and Engineering, Shijiazhuang Tiedao University, Shijiazhuang, 050043, China
[ 5 ] [Du, L.-Z.]Henan Provincial Engineering Laboratory of Building-Photovoltaics, Institute of Sciences, Henan University of Urban Construction, Pingdingshan, 467036, China
[ 6 ] [Zhang, J.-W.]Anhui Provincial Key Laboratory of Advanced Functional Materials and Devices, College of Materials Science and Engineering, Hefei University of Technology, Hefei, 230009, China
[ 7 ] [Shi, J.-L.]Anhui Provincial Key Laboratory of Advanced Functional Materials and Devices, College of Materials Science and Engineering, Hefei University of Technology, Hefei, 230009, China
[ 8 ] [Yang, X.-Y.]Anhui Provincial Key Laboratory of Advanced Functional Materials and Devices, College of Materials Science and Engineering, Hefei University of Technology, Hefei, 230009, China
[ 9 ] [Zhang, J.-X.]Anhui Provincial Key Laboratory of Advanced Functional Materials and Devices, College of Materials Science and Engineering, Hefei University of Technology, Hefei, 230009, China
[ 10 ] [Zhang, J.-X.]National Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing, 100124, China

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