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Computational insights into the optoelectronic and thermoelectric properties of cubic LaScO3 under pressure-induced bandgap transition

Using density functional theory, we explore the pressure-induced transformation of LaScO3 perovskite highlighting its potential for optoelectronic and thermoelectric applications. Our calculations reveal a stable cubic structure that undergoes a widening and transition of bandgap from an indirect to...

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Autori principali: Zoha Afzal, Sajid Butt, Nimra Naeem, Muhammad Irfan, Muhammad Rizwan, Muhammad Usman, Farhan Mudasar
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2025-12-01
Serie:Physics Open
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Accesso online:http://www.sciencedirect.com/science/article/pii/S2666032625000705
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