Theoretical Investigations of Quaternary Semiconductors CsInCdTe3 (Ln=La, Pr, Nd and Sm)

被引：19

作者：

Khan, Imad ^{[1
]}

Ahmad, Ijaz ^{[1
]}

Haq, Izaz Ul ^{[1
]}

Ali, Akbar ^{[1
]}

Ali, Zahid ^{[1
]}

Ahmad, Iftikhar ^{[1
]}

机构：

[1] Univ Malakand, Ctr Computat Mat Sci, Dept Phys, Chakdara, Dirl, Pakistan

来源：

JOURNAL OF ELECTRONIC MATERIALS | 2020年 / 49卷 / 05期

关键词：

Optical materials; electronic structures; Seebeck effect; renewable energy resources; OPTICAL-PROPERTIES; MAGNETIC-PROPERTIES; BAND-GAPS; CRYSTAL-STRUCTURES; TM; LN; LA; HO; TB; GD;

D O I：

10.1007/s11664-020-08048-3

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

Structural, electronic, optical and thermoelectric properties of quaternary semiconductor materials CsLnCdTe(3) (Ln=La, Pr, Nd and Sm) are investigated using density functional theory. Structural parameters such as lattice constants, bulk modulii and bond lengths are found to be consistent with experimental data. The calculated electronic energy band gaps of CsLaCdTe3, CsPrCdTe3, CsNdCdTe3 and CsSmCdTe3 are 1.55 eV, 1.12 eV, 1.23 eV and 1.08 eV. Band gap energies of these compounds exhibit an obvious redshift compared to the base material CdTe (1.59 eV). The optical parameters reveal that these compounds are good dielectric materials. The Seebeck effect, electrical and thermal conductivities and power factor reveal that these compounds are p-type semiconductors.

引用

页码：3357 / 3366

页数：10

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