Refinement of the Nd₂O₃ and Nd₂O₂S structures at 4 K

Abstract

Two errors in the paper by Kamwaya, Oster & Bradaczek [Acta Cryst. (1981), B37, 1564-1568] AbstractStructural parameters of polycrystalline Nd203 and Nd202S were refined at 4 K from neutron powder diffraction data to provide accurate atomic positions for the ab initio calculation of crystal-field parameters. The 4 K and 300 K structures of Nd20 a are not significantly different. The parameters of Nd2OES are close to those of Ho202S and La2OES at room temperature.

Physical properties of the trigonal binary compoundNd2O3

“…As shown in Fig. 1a, Nd 2 O 3 crystallizes in the trigonal centrosymmetric space group P3m1 (164); this space group is in agreement with the classification made by Pauling 7 , Steven 8 , Faucher 9 and, more recently, by Gruber 10 which also predicts the correct symmetry of the Raman modes. Other authors assigned to this compound the acentric space group P 321 11 , or P 6 3 /mmc 12 .…”

“…7). The structural model was refined using the 2 K data set as starting point, no evidence of a distortion or a structural phase transition was found confirming previous work performed at higher temperatures 7,9 . Note that the refinement was done excluding the two strongest peaks coming from the Cu holder.…”

Oxysulfide optical ceramics doped by Nd3+ for one micron lasing

“…(25) the dependence W MR on R 0 is proportional to R À14 0 . The R 0 parameter decreases in the row of LaF 3 :Nd 3+ (R 0 ¼ 2.5 Å ), La 2 O 2 S:Nd 3+ (R 0 ¼ 2.424 Å ) [31], and Gd 2 O 2 S:Nd 3+ (R 0 ¼ 2.367 Å ) [32], and according to the R À14 0 dependence this should raise the MR rate from La 2 O 2 S:Nd 3+ to Gd 2 O 2 S:Nd 3+ . Thus we may conclude that both factors-an increase of the extent of phonon spectrum and a decrease of the R 0 parameter result in an increase of the MR rate in the LaF 3 :Nd 3+ , La 2 O 2 S:Nd 3+ , and Gd 2 O 2 S:Nd 3+ row of optical materials.…”

First‐principles Study of Stability of Cu in the Nd‐rich and Nd Oxide Phases of Nd‐Fe‐B Permanent Magnet

“…In this work, Alloy Theoretic Automated Toolkit (ATAT) 12 is used for construct the cluster expansion model. The formation energy of Cu-doped Nd-dhcp and Nd oxide are calculate using supercell (construct from primitive cell) in different crystal structures [13][14][15][16] then replace one…”