First principle study of opto-electronic and thermoelectric properties of Zintl Phase XIn2Z2 (X = Ca, Sr and Z = As, Sb)

Alburaih, H. A.; Aman, Salma; Mehmood, Shahid; Ali, Zahid; Ejaz, Syeda Rabia; Khosa, Rabia Yasmin; Ahmad, Naseeb; Al-Buriahi, M. S.; Alrowaili, Z.A.; Farid, Hafiz Muhammad Tahir

doi:10.1007/s00339-022-05582-1

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Intuitions Developed From Some Known and Newly Discovered Zi...1

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2024

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Cited by 16 publications

(1 citation statement)

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“…It is therefore expected that phases where the As is replaced by a much heavier Sb would be more suitable in this regards as demonstrated in recent theoretical calculations. 200 Such calculations in fact reveal that a zT 4 1 can be achieved in CaIn 2 Sb 2 and SrIn 2 Sb 2 at moderate temperatures (see Fig. 9) which can find applications as Peltier coolers.…”

Section: Intuitions Developed From Some Known and Newly Discovered Zi...mentioning

confidence: 88%

Exploiting the fraternal twin nature of thermoelectrics and topological insulators in Zintl phases as a tool for engineering new efficient thermoelectric generators

Ogunbunmi

Bobev

2023

J. Mater. Chem. C

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Section: Intuitions Developed From Some Known and Newly Discovered Zi...mentioning

confidence: 88%

Exploiting the fraternal twin nature of thermoelectrics and topological insulators in Zintl phases as a tool for engineering new efficient thermoelectric generators

Ogunbunmi

Bobev

2023

J. Mater. Chem. C

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The Electronic and Thermoelectric Transport Properties of Zintl Pnictides

Ogunbunmi,

Bobev

2023

Encyclopedia of Inorganic and Bioinorganic Chemistry

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Research on Zintl pnictides has continued to garner significant interest over the course of the past several decades. These compounds fall at the border of the typical valence‐precise and the typical intermetallic compounds, and are characterized by intrinsic narrow bandgaps, thus making them especially suited for developing excellent thermoelectrics, photovoltaic cells, and long‐wavelength detector materials. In recent times, attention has also been drawn to these phases for identifying promising topological quantum materials, which are of great interest in the scientific community. In this article, we present some aspects of our ongoing research endeavors on the synthesis of new Zintl pnictides and also discuss their structure–bonding–property relationships based on a suite of combined electronic and transport property measurements and theoretical models. Of special note in several of the presented phases is their intricate atomic bonding and a large unit cell volume, which can drive the realization of ultralow lattice thermal conductivity in such materials. We further highlight the promising thermoelectric properties of selected materials and provide some perspectives on future investigations into optimizing their properties.

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Revealing excellent electronic, optical, and thermoelectric behavior of Eu based EuAg2Y2 (Y= S/Se): For solar cell applications

Behera

Manzoor²,

Iqbal³

et al. 2022

Computational Condensed Matter

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First principle study of opto-electronic and thermoelectric properties of Zintl Phase XIn2Z2 (X = Ca, Sr and Z = As, Sb)

Cited by 16 publications

References 84 publications

Exploiting the fraternal twin nature of thermoelectrics and topological insulators in Zintl phases as a tool for engineering new efficient thermoelectric generators

Exploiting the fraternal twin nature of thermoelectrics and topological insulators in Zintl phases as a tool for engineering new efficient thermoelectric generators

The Electronic and Thermoelectric Transport Properties of Zintl Pnictides

Revealing excellent electronic, optical, and thermoelectric behavior of Eu based EuAg2Y2 (Y= S/Se): For solar cell applications

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