A Comparative Investigation on the JT Effect in Triangular Compounds of NaMnO_(2), NaNiO_(2) and NaTiO_(2)

作     者：OUYANG Sheng-De QUAN Ya-Min LIU Da-Yong ZOU Liang-Jian 欧阳生德;全亚民;刘大勇;邹良剑

作者机构：Key Laboratory of Materials PhysicsInstitute of Solid State PhysicsChinese Academy of SciencesP.O.Box 1129Hefei 230031 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2011年第28卷第6期

页      面：233-236页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：by the National Natural Science Foundation of China under Grant No 10874186 the Knowledge Innovation Project of the Chinese Academy of Sciences 

主　　题：structure distorted triangular 

摘      要：We present a study on the Jahn–Teller(JT)distortions of the TiO_(6),NiO_(6)and MnO_(6)complexes in NaTiO_(2),NaNiO_(2)and NaMnO_(2)triangular compounds with a C_(2)/m *** JT vibronic normal modes are found to be Q3,Q 4 and Q6 by the group symmetry on the C2/m *** magnitude of the normal coordinates(Q3,Q 4,Q6)and the structural parameters of distorted octahedra MO_(6)(M=Ti,Ni,Mn)are obtained and in good agreement with experimental *** energy level splitting of 3d orbitals and the highest occupied molecular orbital(HOMO)character in the MO_(6)complex are also calculated in accordance with the JT *** results provide a first insight into the groundstate and magnetic properties of distorted triangular compounds AMO_(2).