Near-Zero Thermal Expansion and Phase Transitions in HfMg Zn MoO

Overview

Journal Front Chem

Specialty Chemistry

Date 2018 May 3

PMID 29719819

Authors

Sailei Li

Xianghong Ge

Huanli Yuan

Dongxia Chen

Juan Guo

Ruofan Shen

Mingju Chao

Erjun Liang

Affiliations

Soon will be listed here.

Abstract

The effects of Zn incorporation on the phase formation, thermal expansion, phase transition, and vibrational properties of HfMg Zn MoO are investigated by XRD, dilatometry, and Raman spectroscopy. The results show that (i) single phase formation is only possible for ≤ 0.5, otherwise, additional phases of HfMoO and ZnMoO appear; (ii) The phase transition temperature from monoclinic to orthorhombic structure of the single phase HfMg Zn MoO can be well-tailored, which increases with the content of Zn; (iii) The incorporation of Zn leads to an pronounced reduction in the positive expansion of the -axis and an enhanced negative thermal expansion (NTE) in the -axes, leading to a near-zero thermal expansion (ZTE) property with lower anisotropy over a wide temperature range; (iv) Replacement of Mg by Zn weakens the Mo-O bonds as revealed by obvious red shifts of all the Mo-O stretching modes with increasing the content of Zn and improves the sintering performance of the samples which is observed by SEM. The mechanisms of the negative and near-ZTE are discussed.

References

Liang E, Liang Y, Zhao Y, Liu J, Jiang Y . Low-frequency phonon modes and negative thermal expansion in A(MO(4))(2) (A = Zr, Hf and M = W, Mo) by Raman and Terahertz time-domain spectroscopy. J Phys Chem A. 2008; 112(49):12582-7. DOI: 10.1021/jp805256d. View

Evans , Hu , Jorgensen , Argyriou , Short , Sleight . Compressibility, Phase Transitions, and Oxygen Migration in Zirconium Tungstate, ZrW2O8. Science. 1997; 275(5296):61-5. DOI: 10.1126/science.275.5296.61. View

Hu L, Chen J, Fan L, Ren Y, Rong Y, Pan Z . Zero thermal expansion and ferromagnetism in cubic Sc(1-x)M(x)F3 (M = Ga, Fe) over a wide temperature range. J Am Chem Soc. 2014; 136(39):13566-9. DOI: 10.1021/ja5077487. View

Chen J, Hu L, Deng J, Xing X . Negative thermal expansion in functional materials: controllable thermal expansion by chemical modifications. Chem Soc Rev. 2015; 44(11):3522-67. DOI: 10.1039/c4cs00461b. View

Chen J, Wang F, Huang Q, Hu L, Song X, Deng J . Effectively control negative thermal expansion of single-phase ferroelectrics of PbTiO3-(Bi,La)FeO3 over a giant range. Sci Rep. 2013; 3:2458. PMC: 3744799. DOI: 10.1038/srep02458. View

Lama P, Das R, Smith V, Barbour L . A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF. Chem Commun (Camb). 2014; 50(49):6464-7. DOI: 10.1039/c4cc02634a. View

Bridges F, Keiber T, Juhas P, Billinge S, Sutton L, Wilde J . Local vibrations and negative thermal expansion in ZrW2O8. Phys Rev Lett. 2014; 112(4):045505. DOI: 10.1103/PhysRevLett.112.045505. View

Azuma M, Chen W, Seki H, Czapski M, Olga S, Oka K . Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer. Nat Commun. 2011; 2:347. PMC: 3156814. DOI: 10.1038/ncomms1361. View

Long Y, Hayashi N, Saito T, Azuma M, Muranaka S, Shimakawa Y . Temperature-induced A-B intersite charge transfer in an A-site-ordered LaCu(3)Fe(4)O(12) perovskite. Nature. 2009; 458(7234):60-3. DOI: 10.1038/nature07816. View

10.

Allen S, Ward R, Hampson M, Gover R, Evans J . Structures and phase transitions of trigonal ZrMo2O8 and HfMo2O8. Acta Crystallogr B. 2004; 60(Pt 1):32-40. DOI: 10.1107/S0108768103025138. View

11.

Liu X, Cheng Y, Liang E, Chao M . Interaction of crystal water with the building block in Y2Mo3O12 and the effect of Ce3+ doping. Phys Chem Chem Phys. 2014; 16(25):12848-57. DOI: 10.1039/c4cp00144c. View

12.

Tallentire S, Child F, Fall I, Vella-Zarb L, Evans I, Tucker M . Systematic and controllable negative, zero, and positive thermal expansion in cubic Zr(1-x)Sn(x)Mo2O8. J Am Chem Soc. 2013; 135(34):12849-56. DOI: 10.1021/ja4060564. View

13.

Ge X, Mao Y, Liu X, Cheng Y, Yuan B, Chao M . Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12. Sci Rep. 2016; 6:24832. PMC: 4838939. DOI: 10.1038/srep24832. View

14.

Wu M, Liu X, Chen D, Huang Q, Wu H, Liu Y . Structure, phase transition, and controllable thermal expansion behaviors of Sc(2-x)Fe(x)Mo₃O₁₂. Inorg Chem. 2014; 53(17):9206-12. DOI: 10.1021/ic501271t. View

15.

Wang X, Huang Q, Deng J, Yu R, Chen J, Xing X . Phase transformation and negative thermal expansion in TaVO5. Inorg Chem. 2011; 50(6):2685-90. DOI: 10.1021/ic200003n. View

16.

Yamada I, Shiro K, Etani H, Marukawa S, Hayashi N, Mizumaki M . Valence transitions in negative thermal expansion material SrCu₃Fe₄O₁₂. Inorg Chem. 2014; 53(19):10563-9. DOI: 10.1021/ic501665c. View

17.

Ding P, Liang E, Jia Y, Du Z . Electronic structure, bonding and phonon modes in the negative thermal expansion materials of Cd(CN)(2) and Zn(CN)(2). J Phys Condens Matter. 2011; 20(27):275224. DOI: 10.1088/0953-8984/20/27/275224. View