Crystal structure and orbital-singlet state of AgxVP2O7
Crystal structure and orbital-singlet state of AgxVP2O7
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AgxVP2O7 的晶体结构和轨道单线态
DOI：
10.1016/j.jssc.2014.08.014
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发表时间：
2014
影响因子：
3.3
通讯作者：
Takuma Sakamoto
中科院分区：
文献类型：
--
作者：
Masashige Onoda;Takuma Sakamoto
通过x射线四圆衍射、电阻率和磁化率的测量，探讨了新合成的成分范围为0.7≤x≤1的Ag x VP 2o7的晶体结构和电子性能。该体系是单斜的，具有空间群P 2 1/c， x= 1时的晶格常数为a= 7.3358 (3) Å， b= 8.0235 (3) Å， c= 9.5782 (5) Å， β= 111.940(4)°，V= 522.93 (5) Å 3。这种结构是用vo6八面体来描述的，vo6八面体与p2o7基团桥接形成一个三维网络，其中有一对银离子明显存在于六边形隧道中。V离子的晶体场处于中间状态，电子组态为轨道-单重态基态，与双重态基态相差10 K左右。
The crystal structure and electronic properties of Ag x VP 2 O 7 with a wide composition range of 0.7≤ x≤ 1 synthesized newly are explored through measurements of X-ray four-circle diffraction, electrical resistivity, and magnetization. This system is monoclinic with space group P 2 1/c and the lattice constants for x= 1 are a= 7.3358 (3) Å, b= 8.0235 (3) Å, c= 9.5782 (5) Å, β= 111.940 (4)°, and V= 522.93 (5) Å 3. The structure is described in terms of VO 6 octahedra which are bridged with P 2 O 7 groups to form a three-dimensional network with the hexagonal tunnels that a pair of Ag ions apparently resides in. The crystal field of V ions is intermediate and the electron configuration has the orbital-singlet ground state with a gap of the order of 10 K to the doublet state.