Local atomic structures and lattice dynamics of inverse colossal barocaloric ammonium thiocyanate

doi:10.1103/PhysRevMaterials.7.125402

IMR OpenIR

	Local atomic structures and lattice dynamics of inverse colossal barocaloric ammonium thiocyanate
	Zhang, Zhe 1,2; Gong, Wu 3; Zhao, Xueting 1,2; Qi, Ji 1,2; Li, Mingze 1,2; Torii, Shuki 4; Chen, Huaican 5,6; Yin, Wen 5,6; Ohara, Koji 7; Zhang, Zhidong 1,2; Kawakita, Yukinobu 3; Li, Bing 1,2
通讯作者	Kawakita, Yukinobu(yukinobu.kawakita@j-parc.jp) ; Li, Bing(bingli@imr.ac.cn)
	2023-12-20
发表期刊	PHYSICAL REVIEW MATERIALS
ISSN	2475-9953
卷号	7 期号:12 页码:9
摘要	NH4SCN exhibits successive phase transitions from monoclinic to orthorhombic, and then to tetragonal. The former phase transition is accompanied by an inverse colossal barocaloric effect and a huge negative thermal expansion. This transition is complicated by the possibly coexisting orientational disorder of NH4+ and SCN-, and the mechanism is still unclear. Here, NH4SCN is investigated using high-resolution neutron powder diffraction, pair distribution function analysis, and Raman scattering. Both the average and local structural analyses indicate that only NH4+ is orientationally disordered in the orthorhombic phase, and SCN- becomes subsequently disordered in the tetragonal phase. Both temperature-induced and pressure-induced hardening behaviors of SCN--related vibrations are observed, which lead to the breakage of hydrogen bonds-linked NH4+ with SCN- and further facilitate phase transition. Our findings provide a solid standing point of atomic structures and dynamics on which the scenario of the phase transition and the associated physical properties are established.
资助者	Young Innovation Talent Program of Shenyang ; National Natural Science Foundation of China
DOI	10.1103/PhysRevMaterials.7.125402
收录类别	SCI
语种	英语
资助项目	Young Innovation Talent Program of Shenyang[RC210432] ; National Natural Science Foundation of China[11934007] ; National Natural Science Foundation of China[2020B0093] ; National Natural Science Foundation of China[P1621090400001]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:001133933900002
出版者	AMER PHYSICAL SOC
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/183506
专题	中国科学院金属研究所
通讯作者	Kawakita, Yukinobu; Li, Bing
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 3.Japan Atom Energy Agcy, J PARC Ctr, Tokai, Ibaraki 3191195, Japan 4.High Energy Accelerator Res Org, Inst Mat Struct Sci, Tokai, Ibaraki 3191106, Japan 5.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 6.Spallat Neutron Source Sci Ctr, Dongguan 523803, Peoples R China 7.Japan Synchrotron Radiat Res Inst, Diffract & Scattering Div, SPring 8, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan
推荐引用方式 GB/T 7714	Zhang, Zhe,Gong, Wu,Zhao, Xueting,et al. Local atomic structures and lattice dynamics of inverse colossal barocaloric ammonium thiocyanate[J]. PHYSICAL REVIEW MATERIALS,2023,7(12):9.
APA	Zhang, Zhe.,Gong, Wu.,Zhao, Xueting.,Qi, Ji.,Li, Mingze.,...&Li, Bing.(2023).Local atomic structures and lattice dynamics of inverse colossal barocaloric ammonium thiocyanate.PHYSICAL REVIEW MATERIALS,7(12),9.
MLA	Zhang, Zhe,et al."Local atomic structures and lattice dynamics of inverse colossal barocaloric ammonium thiocyanate".PHYSICAL REVIEW MATERIALS 7.12(2023):9.