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Instruments / Technical Area	Publication Details	Published	Actions
I15-1-X-ray Pair Distribution Function (XPDF)	Emergent negative thermal expansion in amorphous Fe-Y-Zr-B alloys Ming Gao , Hankun Xu , Kun Lin , Andrea Sanson , Alessandro Venier , Alessandro Puri , Jochi Tseng , Guodong Li , Qian Zhang , Xuyu Dong , Yili Cao , Qiang Li , Xianran Xing Physical Review Letters 135 DOI: 10.1103/2g25-bdjx Diamond Proposal Number(s): [31899] Show Abstract ▼ Abstract: Negative thermal expansion (NTE) is an unusual yet highly useful phenomenon that has been extensively studied in numerous crystals, including ceramics, alloys, and metal-organic frameworks. This Letter reports an unprecedented NTE in an amorphous Fe87.5⁢Y3⁢Zr1.5⁢B8 alloy that lacks a periodic atomic arrangement. Such an NTE is significant for metallic materials and extends over a wide temperature range (𝛼1=−6.9×10−6 K−1, 200–375 K). We demonstrate that this NTE is intrinsic to the amorphous nature of the alloy and is correlated with Fe moment. Extended x-ray absorption fine structure reveals a strong NTE for nearest neighboring Fe-Fe pairs. Further analysis using a x-ray pair distribution function indicates that the amorphous Fe87.5⁢Y3⁢Zr1.5⁢B8 alloy, serving as a transition state, exhibits a tendency toward local ordered atomic arrangement. A complex interplay among local structure, magnetic interaction, and thermal relaxation results in volume contraction upon heating below 𝑇𝐶. This Letter introduces amorphous alloys as a new family of materials with NTE functionality, offering interesting prospects for both scientific research and practical applications.	Sep 2025
	Ultrawide temperature range super-invar behavior of R2(Fe,Co)17 materials (R = rare earth) Yili Cao , Kun Lin , Sergii Khmelevskyi , Maxim Avdeev , Keith M. Taddei , Qiang Zhang , Qingzhen Huang , Qiang Li , Kenichi Kato , Chiu Chung Tang , Alexandra Gibbs , Chin-Wei Wang , Jinxia Deng , Jun Chen , Hongjie Zhang , Xianran Xing Physical Review Letters 127 DOI: 10.1103/PhysRevLett.127.055501 Show Abstract ▼ Abstract: Super Invar (SIV), i.e., zero thermal expansion of metallic materials underpinned by magnetic ordering, is of great practical merit for a wide range of high precision engineering. However, the relatively narrow temperature window of SIV in most materials restricts its potential applications in many critical fields. Here, we demonstrate the controlled design of thermal expansion in a family of R 2 ( Fe , Co ) 17 materials ( R = rare Earth). We find that adjusting the Fe-Co content tunes the thermal expansion behavior and its optimization leads to a record-wide SIV with good cyclic stability from 3–461 K, almost twice the range of currently known SIV. In situ neutron diffraction, Mössbauer spectra and first-principles calculations reveal the 3 d bonding state transition of the Fe-sublattice favors extra lattice stress upon magnetic ordering. On the other hand, Co content induces a dramatic enhancement of the internal molecular field, which can be manipulated to achieve “ultrawide” SIV over broad temperature, composition and magnetic field windows. These findings pave the way for exploiting thermal-expansion-control engineering and related functional materials.	Jul 2021

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