A DFT Study of Structural, Electronic, Optical, and Thermoelectric Properties of TMX (TM = Mo and W; X = N, P, and As) Compounds

Ali, Zeeshan; Razzaq, Ahmad; Ali, Sardar Mohsin; Saeed, M. Usman; Elansary, Hosam O.; Moussa, Ihab Mohamed; El-Sheikh, Mohamed A.; Bacha, A. U. R.; Saeed, Y.

doi:10.1007/s11664-024-11128-3

J. Electron. Mater.

2024

DOI: 10.1007/s11664-024-11128-3

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A DFT Study of Structural, Electronic, Optical, and Thermoelectric Properties of TMX (TM = Mo and W; X = N, P, and As) Compounds

Zeeshan Ali,

Ahmad Razzaq,

Sardar Mohsin Ali

et al.

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Exploring electronic, optical, elastic, and photocatalytic properties in new double perovskites $$\hbox {Cs}_2\hbox {TlSbCl}_6$$ and $$\hbox {Cs}_2\hbox {TlBiCl}_6$$ materials: A GGA+SOC and hybrid functional study

Saeed,

Usman,

Mohsin Ali

et al. 2024

Journal of Materials Research

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Exploring electronic, optical, elastic, and photocatalytic properties in new double perovskites $$\hbox {Cs}_2\hbox {TlSbCl}_6$$ and $$\hbox {Cs}_2\hbox {TlBiCl}_6$$ materials: A GGA+SOC and hybrid functional study

Saeed,

Usman,

Mohsin Ali

et al. 2024

Journal of Materials Research

View full text Add to dashboard Cite

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A DFT Study of Structural, Electronic, Optical, and Thermoelectric Properties of TMX (TM = Mo and W; X = N, P, and As) Compounds

Cited by 1 publication

References 56 publications

Exploring electronic, optical, elastic, and photocatalytic properties in new double perovskites $$\hbox {Cs}_2\hbox {TlSbCl}_6$$ and $$\hbox {Cs}_2\hbox {TlBiCl}_6$$ materials: A GGA+SOC and hybrid functional study

Exploring electronic, optical, elastic, and photocatalytic properties in new double perovskites $$\hbox {Cs}_2\hbox {TlSbCl}_6$$ and $$\hbox {Cs}_2\hbox {TlBiCl}_6$$ materials: A GGA+SOC and hybrid functional study

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