Journal of Radioanalytical and Nuclear Chemistry ( IF 1.5 ) Pub Date : 2024-03-25 , DOI: 10.1007/s10967-024-09441-6 Ashwani Kumar , Manjulata Sahu , B. S. Tomar
Local electronic structure was investigated by observing hyperfine interactions (HFI) in Calcium titanate (CTO) perovskite using time differential perturbed angular correlation (TDPAC) spectroscopy. CTO was synthesized by gel-combustion method and doped with (181Hf/181Ta) TDPAC probe to study chemical environment around probe atom. Study revealed presence of two sites characterized by different quadrupole interaction frequencies, ω1a = 203 (2) and ω1b = 160 (2) Mrad/s, but with similar asymmetry parameters, ηa = 0.47 (0.01) and ηb = 0.47 (0.03). Electric Field Gradient (EFG) calculated from HFI parameters are 3.12 (0.03) and 2.47 (0.03) × 1021 V/m2 for the two sites. Point charge model calculation concluded that the two sites have different EFG and corroborated the variation in EFG between two sites accurately. Plausible reasons for existence of two different HFIs at B-site of CTO perovskite is discussed.
中文翻译:
使用 TDPAC 光谱研究钛酸钙钛矿中的超精细相互作用
通过使用时微扰角相关(TDPAC)光谱观察钛酸钙(CTO)钙钛矿中的超精细相互作用(HFI)来研究局域电子结构。采用凝胶燃烧法合成CTO,并掺杂( 181 Hf/ 181 Ta) TDPAC探针,用于研究探针原子周围的化学环境。研究表明存在两个具有不同四极相互作用频率 ω 1 a = 203 (2) 和 ω 1 b = 160 (2) Mrad/s 的位点,但具有相似的不对称参数 η a = 0.47 (0.01) 和 η b = 0.47 (0.03)。根据 HFI 参数计算出的两个地点的电场梯度 (EFG) 分别为 3.12 (0.03) 和 2.47 (0.03) × 10 21 V/m 2 。点电荷模型计算得出两个位点具有不同的EFG,准确地证实了两个位点之间EFG的变化。讨论了 CTO 钙钛矿 B 位点存在两种不同 HFI 的合理原因。