DIFFPY.MPDF: Open-source software for magnetic pair distribution function analysis

Abstract

The open-source python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package builds on existing libraries in the DiffPy suite to allow users to create models of magnetic structures and calculate corresponding one-dimensional and three-dimensional mPDF patterns. diffpy.mpdf can be used to perform fits to mPDF data either in isolation or in combination with atomic PDF data for joint refinements of the atomic and magnetic structure. Examples are given using MnO and MnTe as representative antiferromagnetic compounds and MnSb as a representative ferromagnet.

References in corpus (5)

• Magnetic structure determination from the magnetic pair distribution function (mPDF): ground state of MnO
• Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)${}_2$As${}_2$
• Neutron scattering investigation of proposed Kosterlitz-Thouless transitions in the triangular-lattice Ising antiferromagnet TmMgGaO4
• Real-space investigation of short-range magnetic correlations in fluoride pyrochlores NaCaCo${}_2$F${}_7$ and NaSrCo${}_2$F${}_7$ with magnetic pair distribution function analysis
• Nanoscale degeneracy lifting in a geometrically frustrated antiferromagnet

Cited by in corpus (5)

• A New Spin on Material Properties: Local Magnetic Structure in Functional and Quantum Materials
• Quantitative investigation of the short-range magnetic correlations in candidate quantum spin liquid NaYbO${}_2$
• Magnetic Pair Distribution Function Data Using Polarized Neutrons and ad hoc Corrections
• Local atomic and magnetic structure of multiferroic (Sr,Ba)(Mn,Ti)O${}_3$
• Cluster spin glass correlations and dynamics in Zn${}_{0.5}$Mn${}_{0.5}$Te