Structural phase transition of Cu[subscript 3]N under high pressure

Journal Article · Fri Oct 22 04:00:00 EDT 2010 · Solid State Commun.

DOI:https://doi.org/10.1016/j.ssc.2010.06.012· OSTI ID:1002703

Zhao, J G; You, S J; Yang, L X; Jin, C Q ^[1]

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1. Harbin

We performed the high-pressure angle-resolved X-ray diffraction experiments on Cu{sub 3}N up to 36.0 GPa. It was found that a crystal structure phase transition begins to take place at {approx}5.5 GPa on Cu{sub 3}N. Under high pressure, Cu{sub 3}N transforms to a new simple tetragonal structure denoted by [Cu(1){sub 3}Cu(2){sub x}]N{sub (1+x/3)}, because parts of Cu and N ions occupy the vacant sites in the crystal lattice. In this structure, Cu(1) and Cu(2) denote the primal Cu position and the vacant position in ReO{sub 3} type Cu{sub 3}N, respectively. The content x is increasing with pressure, indicating that the phase transition is a gradual change. When pressure is greater than 12 GPa, x keeps 1 up to the maximum pressure, so Cu{sub 3}N completely transforms to a body-center tetragonal structure, where the N sites are filled with 1/3 N ions.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: USDOE
• OSTI ID: 1002703
• Journal Information: Solid State Commun., Journal Name: Solid State Commun. Journal Issue: (33-34) ; 09, 2010 Vol. 150; ISSN 0038-1098; ISSN SSCOA4
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL LATTICES
CRYSTAL STRUCTURE
X-RAY DIFFRACTION