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Unveiling the Impact of 0–20 Gpa Hydrostatic Pressure on the Physical Properties of (Cs<sub>2</sub>HfCl<sub>6</sub>) Double Perovskite

The current work determines the physical properties of Cs<sub>2</sub>HfCl<sub>6</sub> photovoltaic compounds including their structural, electronic, and optical behavior, utilizing the DFT approach. The simulated Cs<sub>2</sub>HfCl<sub>6</sub> lattice constants, cell volumes, and bond lengths decrea...

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Principais autores: Umar Farooq, Nabeel Israr, Belqees Hassan, Ali Alnakhlani, Mohamed Kallel, Wasif ur Rehman, Yong-Long Wang
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2025-04-01
Serier:Crystals
Fag:
DFT
Cs<sub>2</sub>HfCl<sub>6</sub>
FP-LAPW
TB-mBJ
hydraulic pressure
electronic band structure
Online adgang:https://www.mdpi.com/2073-4352/15/5/395
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