Orthorhombic-to-monoclinic phase transition of Ta2NiSe5 induced by the Bose-Einstein condensation of excitons

被引：162
作者：
Kaneko, T. [1 ]
Toriyama, T. [1 ]
Konishi, T. [2 ]
Ohta, Y. [1 ]
机构：
[1] Chiba Univ, Dept Phys, Chiba 2638522, Japan
[2] Chiba Univ, Grad Sch Adv Integrat Sci, Chiba 2638522, Japan
来源：
PHYSICAL REVIEW B | 2013年 / 87卷 / 03期
关键词：
TMSE0.45TE0.55; FERROMAGNETISM; INSULATOR;
D O I：
10.1103/PhysRevB.87.035121
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Using the band structure calculation and mean-field analysis of the derived three-chain Hubbard model with phonon degrees of freedom, we discuss the origin of the orthorhombic-to-monoclinic phase transition of the layered chalcogenide Ta2NiSe5. We show that the Bose-Einstein condensation of excitonic electron-hole pairs cooperatively induces the instability of the phonon mode at momentum q -> 0 in the quasi-one-dimensional Ta-NiSe-Ta chain, resulting in the structural phase transition of the system. The calculated single-particle spectra reproduce the deformation of the band structure observed in the angle-resolved photoemission spectroscopy experiment. DOI: 10.1103/PhysRevB.87.035121
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页数：5
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