Structure, Intrinsic properties and Vibrational Spectra of Pr(Mg(1/2)Sn(1/2))O(3) Ceramic Crystal.

Structure, Intrinsic properties and Vibrational Spectra of Pr(Mg(1/2)Sn(1/2))O(3) Ceramic Crystal.
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Pr(Mg 1/2 Sn 1/2) O 3 陶瓷晶体的结构、本征性能及振动光谱

DOI:
10.1038/s41598-017-13445-6
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发表时间:
2017-10-17
期刊:
影响因子:
4.6
通讯作者:
Shi F
Shi F
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Qiao H;Sun H;Li J;Chen H;Xing C;Yang J;Dong H;Wang J;Yin X;Qi ZM;Shi F

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采用固相反应法制备了Pr(Mg 1/2Sn 1/2)O3(PMS)陶瓷。通过X射线衍射(XRD)分析了其晶体结构,证明其主晶相为PMS,具有单斜P2 1/n1对称性。通过拉曼散射光谱和傅里叶变换远红外反射光谱获得了晶格振动模式。对拉曼光谱的激活模进行了归属和图解,并利用洛伦兹函数进行了拟合。在110-200 cm-1范围内的4个模来自F 2g振动(A位阳离子),另外3个模(300-430 cm-1)来自F 2g振动(B位阳离子),其中频率高于650 cm-1的模属于类A 1g模,对应于氧八面体的对称呼吸。利用四参数半量子模型拟合了具有七个红外激活模式的远红外光谱,计算了其本征性质(介电常数和损耗)。F2 u(2)对介电常数和损耗的贡献最大,主要表现为Pr-MgO_6八面体的逆平移振动。
Pr(Mg1/2Sn1/2)O3 (PMS) ceramic was prepared through a conventional solid-state reaction method. Crystal structure was investigated through X-ray diffraction (XRD), which certificates that the main phase is PMS with monoclinic P2 1/n1 symmetry. Lattice vibrational modes were obtained through Raman scattering spectroscopy and Fourier transform far-infrared reflection spectroscopy. The Raman spectrum active modes were assigned and illustrated, respectively, and then fitted with Lorentzian function. The four modes within the range of 110–200 cm−1 are derived from the F 2g vibrations (A-site cations), and the other three modes (300–430 cm−1) are derived from the F 2g vibrations (B-site cations).The mode with highest frequency above 650 cm−1 is attributed to A 1g-like mode that corresponds to the symmetric breathing of oxygen octahedral. The far-infrared spectrum with seven infrared active modes was fitted using four-parameter semi-quantum models to calculate intrinsic properties (permittivity and loss). F 2u (2) yielded the greatest contribution to dielectric constant and loss, which is mainly performed as the inverted translational vibration of Pr-MgO6 octahedron.
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