Temperature dependent EXAFS study on transition metal dichalcogenides MoX2 (X = S, Se, Te)

被引:12
作者
Caramazza, S. [1 ]
Marini, C. [2 ]
Simonelli, L. [2 ]
Dore, P. [3 ,4 ]
Postorino, P. [3 ,5 ]
机构
[1] Univ Roma La Sapienza, Dept Phys, Ple Aldo Moro 5, I-00185 Rome, Italy
[2] ALBA Synchrotron Light Source, Crta BP 1413,Km 3-3, Barcelona 08290, Spain
[3] Univ Roma La Sapienza, Dept Phys, Ple Aldo Moro, I-00185 Rome, Italy
[4] CNR, SPIN, Ple Aldo Moro, I-00185 Rome, Italy
[5] CNR, IOM, Ple Aldo Moro, I-00185 Rome, Italy
关键词
transition metal dichalcogenides; x-ray absorption; local structure; CRYSTAL-STRUCTURE; RAMAN-SCATTERING; SINGLE; PHONON;
D O I
10.1088/0953-8984/28/32/325401
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The local structure of molybdenum dichalcogenide MoX2 (X = S, Se, Te) single crystal has been studied by means of multi-edge (Mo, Se, and Te K-edges) extended x-ray absorption fine-structure spectroscopy as function of temperature. The temperature dependences of the interatomic distances Mo-X, Mo-Mo and X-X (X = S, Se, and Te) and of the corresponding Debye-Waller factors have been extracted over the 70-500 K temperature range. Exploiting the correlated Einstein model, we found that the Einstein frequencies of Mo-X and X-X bonds obtained by present data are in close agreement with the frequencies of the optical (Raman and infrared) stretching modes for both MoS2 and MoSe2, whereas a significant deviation has been found for MoTe2. A similar anomaly has been found for the force constants related to the Mo-X bonds in the MoTe2 case. Our findings, accordingly with the results reported in a recent theoretical paper, support the idea that the optical vibrational modes have a dominant role in MoS2 and MoSe2, whereas the effects of acoustic vibrational modes cannot be neglected in the case of MoTe2.
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页数:7
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