Behavior of copper under high pressure: Experimental and theoretical analyses

• Published in: Current applied physics 2021, 31(0), , pp.93-98
• Main Authors: Ko, Na-Yeong, Hwang, Jung-Min, Ko, Young-Ho
• Format: Article
• Language: English
• Subjects: Copper; Defect; Equation of state; First-principles calculation; X-ray diffraction; 물리학
• ISSN: 1567-1739; 1878-1675
• DOI: 10.1016/j.cap.2021.08.006

The physical properties of high-purity copper under high pressure were investigated with X-ray diffraction(XRD) using the 3rd generation synchrotron radiation and a diamond anvil cell(DAC) and First-principles calculation using ab-initio simulation program. And they differ 15 % from those reported in the past. The previously reported experimental isothermal bulk moduli for polycrystalline copper and single crystalline copper are 140.2 ± 3.9 GP and 137.6 ± 0.2 GPa respectively, and the theoretical isothermal bulk modulus of copper is 134.6 GPa [1–20]. However, the recently measured bulk moduli of copper are 120.8 ± 4.4 GPa for polycrystal and 120.7 ± 2.1 GPa for single crystal respectively. The difference might mainly come from the purity of copper owing to the development of scientific technology, and the 3-dimensional effect of defects in nearly pure(perfect) crystalline materials was first observed by using DAC and XRD. •It is confirmed that materials with defect or imperfection are harder than materials without it by pressure.•The isothermal bulk modulus of copper from our measurements is 15 % less than that reported previously.•The variation of crystallite size and microstrain of copper with respect to pressure is calculated.•The interaction potentials of copper for First-principles calculation should be corrected in the near future.