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Structural transition, metallization, and superconductivity in quasi-two-dimensional layered <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Pd</mml:mi><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> under compression

Structural transition, metallization, and superconductivity in quasi-two-dimensional layered <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Pd</mml:mi><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> under compression

Based on first-principles simulations and calculations, we explore the evolutions of crystal structure, electronic structure, and transport properties of quasi-two-dimensional layered $\mathrm{Pd}{\mathrm{S}}_{2}$ under compression by uniaxial stress and hydrostatic pressure. An interesting ferroelastic phase transition with lattice reorientation is revealed under uniaxial compressive stress, which originates from the bond reconstructions …