articleComputational Condensed MatterFeb 11, 2026Closed access

Structural optimization and thermodynamic stability of novel 2D trigonal Mg2Ga2S5 monolayer for high-performance optoelectronic and thermoelectric characteristics via first-principles study

ZUZahid UllahGSGhulam SaddiqAWAbdul WakilGMG. MurtazaNANajah Alwadie

Islamia College University · Princess Nourah bint Abdulrahman University · +1 more institution

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6
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Topics
Keywords
  • Thermoelectric effect
  • Monolayer
  • Band gap
  • Density functional theory
  • Phonon
  • Thermal stability
  • Electronic band structure
  • Figure of merit
UN Sustainable Development Goals
  • Affordable and clean energy
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