Large optical anisotropy in quasi-one-dimensional tantalum thallium chalcogenides TaTlX3 (X = S, Se): A first-principles investigation

被引：2
|
作者：
Sujith, C. P. [1 ,2 ]
Joseph, Saji [3 ]
Mathew, Thomas [4 ]
Mathew, Vincent [1 ]
机构：
[1] Cent Univ Kerala, Dept Phys, Kasaragod, India
[2] JSS Coll Arts Commerce & Sci, Dept Phys, Mysuru, Karnataka, India
[3] Pavanatma Coll, Dept Phys, Idukki, Kerala, India
[4] St Stephens Coll, Dept Phys, Uzhavoor, Kerala, India
来源：
MATERIALS CHEMISTRY AND PHYSICS | 2023年 / 303卷
关键词：
Quasi-one-dimensional; Optical anisotropy; Birefringence; Dichroism; Density functional theory (DFT); GENERALIZED GRADIENT APPROXIMATION; ELECTRONIC BAND-STRUCTURE; REFRACTIVE-INDEX; GIANT BIREFRINGENCE; CRYSTAL-STRUCTURE; POLARIZABILITIES; DISPERSION; EQUATION; IONS;
D O I：
10.1016/j.matchemphys.2023.127754
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Anisotropy of optical parameters of TaTlS3 and TaTlSe3 is investigated through first principles calculations. Indirect bandgap quasi-one-dimensional semiconductors TaTlS3 and TaTlSe3 have bandgaps of 1.15 eV and 0.84 eV, respectively. Important optical parameters are found to be strongly influenced by the radiation direction of the incident beam, as indicated by large birefringence and dichroism. Large optical anisotropy suggests promising nonlinear and linear optoelectronic applications for these materials, including wave plates, polarizers and phase-matching devices.
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页数：7
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