论文标题
SC5RH6SN18中的晶体结构，化学键合，电和热传输
Crystal structure, Chemical Bonding, Electrical and Thermal Transport in Sc5Rh6Sn18
论文作者
论文摘要
SC5RH6SN18的单晶从SN-Flux生长。通过高分辨率的X射线衍射以及TEM研究了晶体结构（SG：I41/ACD，A = 13.5529（2）Å，C = 27.0976（7）Å）。所有方法都用SC5IR6SN18（空间组I41/ACD）类型的结构确认它以结晶。进行的结构研究还表明，平均翻译对称性断裂的局部域。对化学键合的分析表明，高度极性SC2-SN1，SN-RH和SC2-RH键，涉及SN-原子以及SC1键的离子性质的两个和三中心键。 SC5RH6SN18的热电器是各向同性的，小且负的（即电子样载体的优势）。由于结构障碍，与常规金属系统相比，导热率降低。
Single crystals of Sc5Rh6Sn18 were grown from Sn-flux. The crystal structure (SG: I41/acd, a = 13.5529(2) Å, c = 27.0976(7) Å) was studied by high-resolution X-ray diffraction on powder and single crystal material as well as by TEM. All methods confirm it to crystallize with Sc5Ir6Sn18 (space group I41/acd) type of structure. The performed structural studies suggest also the presence of local domains with broken average translational symmetry. Analysis of the chemical bonding situation reveal highly polar Sc2-Sn1, Sn-Rh and Sc2-Rh bonds, two- and three-center bonds involving Sn-atoms as well as ionic nature of Sc1 bonding. The thermopower of Sc5Rh6Sn18 is isotropic, small and negative (i.e. dominance of electron-like charge carriers). Due to structural disorder, the thermal conductivity is lowered in comparison with regular metallic systems.
