Local order in layered NiPS₃ and Ni₀.₇Mg₀.₃PS₃.

Area of Science:

• Materials Science
• Solid State Physics
• Magnetism

Background:

• Two-dimensional magnetic materials M(II)PS(3) exhibit diverse magnetic and chemical properties.
• Their layered crystal structure shows in-plane order but poor correlation along the c-axis.
• These characteristics are crucial for applications like intercalation of molecules and ions.

Purpose of the Study:

• To model short-range ordering in NiPS(3) and Ni(1-x)Mg(x)PS(3) (x=0.3).
• To understand the influence of structural disorder on magnetic behavior in M(II)PS(3) materials.
• To investigate metal species clustering within the ab planes.

Main Methods:

• X-ray diffuse scattering was used to analyze NiPS(3) stacking faults along the c-axis.
• Electron diffraction was employed to study short-range order in Ni(1-x)Mg(x)PS(3).
• Modeling of diffuse scattering was performed to identify metal species clustering.

Main Results:

• X-ray scattering revealed pronounced streaking along c in NiPS(3), indicating stacking faults.
• Electron diffraction showed significant diffuse scattering in Ni(1-x)Mg(x)PS(3), attributed to short-range order.
• The observed diffuse scattering was successfully modeled by considering metal species clustering within the ab plane.

Conclusions:

• Short-range ordering and metal clustering are significant features in M(II)PS(3) layered materials.
• These structural characteristics have direct implications for understanding their magnetic properties, including magnetic glassiness.
• The findings necessitate re-evaluation of magnetic behavior interpretations in this material family.