5 papers
Effects of Voigt Diffraction Peak Profiles on the Pair Distribution Function
Jonas Beyer, Nikolaj Roth, Bo Brummerstedt Iversen
Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, a…
Tuneable local order in thermoelectric crystals
Nikolaj Roth, Jonas Beyer, Karl F. F. Fischer +3
Although crystalline solids are characterized by their periodic structures, some are only periodic on average and deviate on a local scale. Distinct local orderings can exist with…
A simple model for vacancy order and disorder in defective half-Heusler systems
Nikolaj Roth, Tiejun Zhu, Bo Brummerstedt Iversen
Defective half-Heusler systems X(1-x)YZ with large amounts of intrinsic vacancies, such as Nb(1-x)CoSb, Ti(1-x)NiSb and V(1-x)CoSb, are a group of promising thermoelectric material…
Solving the disordered structure of -CuSe using the three-dimensional difference pair distribution function
Nikolaj Roth, Bo B. Iversen
High-performing thermoelectric materials such as ZnSb and clathrates have atomic disorder as the root to their favorable properties. This makes it extremely difficult to un…
Model-free reconstruction of magnetic correlations in frustrated magnets
Nikolaj Roth, Andrew F. May, Feng Ye +2
Frustrated magnetic systems exhibit extraordinary physical properties but quantification of their magnetic correlations poses a serious challenge to experiment and theory. Current…