Challenges in Rietveld Refinement and Structure Visualization in Ceramics

Abstract

The most common and basic characterization in the field of material science is the almighty X-ray diffraction (XRD). In every institute, every research report and every manuscript, concerning material properties, the X-ray diffraction pattern is essentially found. Although the basis of these works relies on the fact that X-ray diffraction pattern was found to be matching with some structure in a database, the in depth significance of the various characteristic diffraction manifestations of various physical characters are rarely discussed. Most of the researchers (especially beginners) are either not aware of the prowess of X-ray based characterizations, or have not been introduced to it properly or may be sometimes they are not interested in its results at all. The decreased interest (later) in the results from such studies might be for not being productive enough for time spending or non-effectiveness in justifying the motivation of the work. The former two are more related to the availability and accessibility of study material for the development of core concepts. Most of the institutes always do not have access to the span-wide scientific literature and the researchers joining these institutions are partly affected. In this context the effective open-access and free availability of intech-open, it is prudent to at least attempt to accumulate, assimilated and aggregate the concepts related to X-ray diffraction in a single package. The chapter is an attempt in the path of this route.

Enhancing thermometric efficiency: a wavelength excitation analysis in LiSrGdW3O12:Tb3+ for superior single band ratiometric (SBR) thermometry

“…R exp equals to expected R value and R wp equals to the weighted-profile R-value. Values of R wp /R exp close to 1 indicates the good quality of the Le Bail fitting12…”

“…The scheelite structure is prevalent in binary molybdates and tungstates, and noteworthy reports underscore their exceptional upconversion (UC) photoluminescence properties. 11,12 Tungstate compounds are widely recognized as essential inorganic functional materials with a rich history of practical applications in scintillation detectors, solid-state lasers, and stimulated Raman scattering (SRS). For instance, crystals like PbWO 4 and CdWO 4 exhibit excellent scintillation properties.…”

Behavior of Microstrain in Nd3+-Sensitized Near-Infrared Upconverting Core–Shell Nanocrystals for Defect-Induced Tailoring of Luminescence Intensity

“…A value of the weighted profile R factor (R wp ) to expected R factor (R exp ) ratio and a χ 2 closer to unity (Table 2) indicated a satisfactory fit with the calculated model. 49 With a smaller ionic radius (76 pm), Li + is known to occupy either the Na + lattice positions or the lattice voids primarily in the NaYF 4 host lattice and is not expected to replace tripositive lanthanide ions due to a significant charge mismatch. 37,[39][40][41]50 The charge compensation mechanism is thereby attributed to a cation defect hypothesis as reported previously.…”