Out-of-plane ordered quaternary borides M'4VSiB2 (M'=Nb and Mo): Experimental and theoretical investigations

doi:10.1016/j.jmst.2024.11.066

J. Mater. Sci. Technol. ›› 2025, Vol. 228: 234-240.DOI: 10.1016/j.jmst.2024.11.066

• Research article • Previous Articles Next Articles

Out-of-plane ordered quaternary borides M'₄VSiB₂ (M'=Nb and Mo): Experimental and theoretical investigations

He Chong^a,b, Chaobo Wang^c, Zhaohui Chen^a,b, Ni Zhao^a,b, Hongyun Guo^a,b, Xiaobai Ma^d, Dongfeng Chen^d, Kai Sun^d, Wenyun Yang^e, Jinbo Yang^e, Qiang Wang^a, Weibin Cui^a,b,*

^aKey Laboratory of Electromagnetic Processing of Materials, Ministry of Education, Northeastern University, Shenyang 110819, China;
^bDepartment of Physics and Chemistry of Materials, School of Materials Science and Engineering, Northeastern University, Shenyang 110819, China;
^cCollege of Sciences, Northeastern University, Shenyang 110819, China;
^dNeutron Scattering Laboratory, Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413, China;
^eState Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871, China

Received:2024-07-17 Revised:2024-11-23 Accepted:2024-11-24 Published:2025-09-01 Online:2025-09-01
Contact: ^*E-mail addresses: cuiweibin@epm.neu.edu.cn (W. Cui)

Abstract

Abstract: Two novel out-of-plane ordered quaternary borides M'₄VSiB₂ (M'=Nb and Mo) have been synthesized. The out-of-plane ordered characteristic has been confirmed by the X-ray diffraction, the neutron powder diffraction and the scanning transmission electron microscopy with high-angle angular dark field images. By adjusting the stoichiometric ratio of Mo and V, the 16l site preferentially occupied by relatively larger atom and 4c site by relatively smaller atom have been confirmed. The further first-principle calculation demonstrates the dynamical and thermodynamical stability of Mo₄VSiB₂ o-T2 phase. This work confirms the transition metal occupation strategy of o-T2 phase and enriches the out-of-plane ordered laminated borides family.

Key words: Neutron powder diffraction, o-T2 phase, Out-of-plane chemical ordered, Nanolaminated boride

He Chong, Chaobo Wang, Zhaohui Chen, Ni Zhao, Hongyun Guo, Xiaobai Ma, Dongfeng Chen, Kai Sun, Wenyun Yang, Jinbo Yang, Qiang Wang, Weibin Cui. Out-of-plane ordered quaternary borides M'₄VSiB₂ (M'=Nb and Mo): Experimental and theoretical investigations[J]. J. Mater. Sci. Technol., 2025, 228: 234-240.

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Out-of-plane ordered quaternary borides M'₄VSiB₂ (M'=Nb and Mo): Experimental and theoretical investigations

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