Zinc telluride is a versatile wide band gap semiconductor used in many applications. But it has certain limitations like large dimensions and large band gaps. Introducing alkali metal to its bulk lattice (3D) can reduce its dimensions and lanthanide can produce a red shift in the energy gap by converting it into quaternary compounds. The alkali and lanthanide incorporated quaternary zinc tellurides CsLnZnTe3 (Ln = La, Pr, Nd and Sm) form layered crystal structure in which 2 infinity[LnZnTe3]- layers are separated by Cs+ layer. The famous lanthanide contraction is experimental both from lattice constants and bond lengths. The calculated band gaps are 2.26, 2.28, 2.12, 2.05 eV for CsLaZnTe3, CsPrZnTe3, CsNdZnTe3 and CsSmZnTe3, respectively. These compounds show direct band gap nature. The energy band gaps of these compounds have not been evaluated yet both experimentally and theoretically. Energy loss functions, refractive index and dielectric functions were also calculated to explore the potential applications of CsLnZnTe3 in optoelectronic devices.(c) 2022 Chinese Society of Rare Earths. Published by Elsevier B.V. All rights reserved.
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Don State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Gabrelian, B. V.
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Lavrentyev, A. A.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Lavrentyev, A. A.
;
Vu, Tuan V.
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Ton Duc Thang Univ, Inst Computat Sci, Div Computat Phys, Ho Chi Minh City, Vietnam
Ton Duc Thang Univ, Fac Elect & Elect Engn, Ho Chi Minh City, VietnamDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Vu, Tuan V.
;
Kalmykova, K. F.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Kalmykova, K. F.
;
Ananchenko, L. N.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Ananchenko, L. N.
;
Tkach, V. A.
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Natl Acad Sci Ukraine, Frantsevych Inst Problems Mat Sci, 3 Krzhyzhanivsky St, UA-03142 Kiev, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Tkach, V. A.
;
Parasyuk, O. V.
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Lesya Ukrainka Eastern European Natl Univ, Dept Inorgan & Phys Chem, 13 Voli Ave, UA-43025 Lutsk, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Parasyuk, O. V.
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Khyzhun, Y.
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Natl Acad Sci Ukraine, Frantsevych Inst Problems Mat Sci, 3 Krzhyzhanivsky St, UA-03142 Kiev, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
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Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Idrissi, S.
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Mounkachi, O.
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Bahmad, L.
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Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Bahmad, L.
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Benyoussef, A.
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Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Hassan II Acad Sci & Technol, Km 4,Ave Mohammed 6, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
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Don State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Gabrelian, B. V.
;
Lavrentyev, A. A.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Lavrentyev, A. A.
;
Vu, Tuan V.
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Ton Duc Thang Univ, Inst Computat Sci, Div Computat Phys, Ho Chi Minh City, Vietnam
Ton Duc Thang Univ, Fac Elect & Elect Engn, Ho Chi Minh City, VietnamDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Vu, Tuan V.
;
Kalmykova, K. F.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Kalmykova, K. F.
;
Ananchenko, L. N.
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Don State Tech Univ, Dept Elect Engn & Elect, 1 Gagarin Sq, Rostov Na Donu 344010, RussiaDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Ananchenko, L. N.
;
Tkach, V. A.
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Natl Acad Sci Ukraine, Frantsevych Inst Problems Mat Sci, 3 Krzhyzhanivsky St, UA-03142 Kiev, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Tkach, V. A.
;
Parasyuk, O. V.
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h-index: 0
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Lesya Ukrainka Eastern European Natl Univ, Dept Inorgan & Phys Chem, 13 Voli Ave, UA-43025 Lutsk, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
Parasyuk, O. V.
;
Khyzhun, Y.
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h-index: 0
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Natl Acad Sci Ukraine, Frantsevych Inst Problems Mat Sci, 3 Krzhyzhanivsky St, UA-03142 Kiev, UkraineDon State Tech Univ, Dept Computat Tech & Automated Syst Software, 1 Gagarin Sq, Rostov Na Donu 344010, Russia
机构:
Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Idrissi, S.
;
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Mounkachi, O.
;
Bahmad, L.
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Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Bahmad, L.
;
Benyoussef, A.
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Mohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco
Hassan II Acad Sci & Technol, Km 4,Ave Mohammed 6, Rabat, MoroccoMohammed V Univ Rabat, Fac Sci, Lab Matiere Condensee Sci Interdisciplinaires LaMC, BP 1014, Rabat, Morocco