TY - JOUR
T1 - Large Magnetocaloric Effect in Li3K9Gd3(BO3)7Crystal Featuring Sandwich-Like Three-Dimensional Framework
AU - Liu, Wang
AU - Liang, Fei
AU - Chen, Yuwei
AU - Song, Huimin
AU - Feng, Jingcheng
AU - Shen, Jun
AU - Lin, Zheshuai
AU - Tu, Heng
AU - Zhang, Guochun
N1 - Publisher Copyright:
© 2021 American Chemical Society. All rights reserved.
PY - 2021/5/3
Y1 - 2021/5/3
N2 - A new Gd-based borate crystal, Li3K9Gd3(BO3)7, has been successfully obtained via the high-temperature solution method using Li2O-K2O-B2O3 self-flux. It crystallizes in monoclinic space group P2/n (no. 10) with lattice parameters a = 11.3454(6) Å, b = 9.9881(4) Å, c = 11.4467(7) Å, α = γ= 90 o, β = 114.782(7) o, and Z = 2. Li3K9Gd3(BO3)7 exhibits an intriguing sandwich-like three-dimensional (3D) framework constructed from [Gd-B-O]∞ layers, KOn (n = 6 and 8) polyhedra, and LiO4 tetrahedra, in which [Gd-B-O]∞ layers are built from two types of GdO8 polyhedra and triangular BO3 units. Magnetic measurements showed that Li3K9Gd3(BO3)7 exhibits a large magnetocaloric effect with -ΔSm = 39.3 J kg-1 K-1 at 2.0 K for ΔH = 7 T, which is slightly higher than that of the commercial gadolinium gallium garnet under the same conditions. The powder X-ray diffraction, infrared spectrum, and UV-vis-NIR diffuse reflectance spectrum were also performed to characterize Li3K9Gd3(BO3)7. The electronic band structures, partial density of states, and refractive indices of Li3K9Gd3(BO3)7 were investigated via the first-principle calculations.
AB - A new Gd-based borate crystal, Li3K9Gd3(BO3)7, has been successfully obtained via the high-temperature solution method using Li2O-K2O-B2O3 self-flux. It crystallizes in monoclinic space group P2/n (no. 10) with lattice parameters a = 11.3454(6) Å, b = 9.9881(4) Å, c = 11.4467(7) Å, α = γ= 90 o, β = 114.782(7) o, and Z = 2. Li3K9Gd3(BO3)7 exhibits an intriguing sandwich-like three-dimensional (3D) framework constructed from [Gd-B-O]∞ layers, KOn (n = 6 and 8) polyhedra, and LiO4 tetrahedra, in which [Gd-B-O]∞ layers are built from two types of GdO8 polyhedra and triangular BO3 units. Magnetic measurements showed that Li3K9Gd3(BO3)7 exhibits a large magnetocaloric effect with -ΔSm = 39.3 J kg-1 K-1 at 2.0 K for ΔH = 7 T, which is slightly higher than that of the commercial gadolinium gallium garnet under the same conditions. The powder X-ray diffraction, infrared spectrum, and UV-vis-NIR diffuse reflectance spectrum were also performed to characterize Li3K9Gd3(BO3)7. The electronic band structures, partial density of states, and refractive indices of Li3K9Gd3(BO3)7 were investigated via the first-principle calculations.
UR - http://www.scopus.com/inward/record.url?scp=85105117397&partnerID=8YFLogxK
U2 - 10.1021/acs.inorgchem.1c00633
DO - 10.1021/acs.inorgchem.1c00633
M3 - Article
C2 - 33843230
AN - SCOPUS:85105117397
SN - 0020-1669
VL - 60
SP - 6796
EP - 6803
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 9
ER -