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• W4386157229 abstract "Abstract Pd 3 P 2 S 8 is a semiconductor that contains Kagome lattices, which exhibits various physical phenomena. Structural searches of Pd 3 P 2 S 8 in the pressure range from 0 to 120 GPa have revealed two phases of the space group <?CDATA $Poverline{3}m1$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>P</mml:mi> <mml:mover> <mml:mn>3</mml:mn> <mml:mo accent=false>‾</mml:mo> </mml:mover> <mml:mi>m</mml:mi> <mml:mn>1</mml:mn> </mml:math> (designated as <?CDATA $Poverline{3}m1$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>P</mml:mi> <mml:mover> <mml:mn>3</mml:mn> <mml:mo accent=false>‾</mml:mo> </mml:mover> <mml:mi>m</mml:mi> <mml:mn>1</mml:mn> </mml:math> -1 and <?CDATA $Poverline{3}m1$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>P</mml:mi> <mml:mover> <mml:mn>3</mml:mn> <mml:mo accent=false>‾</mml:mo> </mml:mover> <mml:mi>m</mml:mi> <mml:mn>1</mml:mn> </mml:math> -2) and two phases of the space group <?CDATA $C2/m$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>C</mml:mi> <mml:mn>2</mml:mn> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:mi>m</mml:mi> </mml:math> (designated as <?CDATA $C2/m$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>C</mml:mi> <mml:mn>2</mml:mn> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:mi>m</mml:mi> </mml:math> -1 and <?CDATA $C2/m$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>C</mml:mi> <mml:mn>2</mml:mn> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:mi>m</mml:mi> </mml:math> -2), with all but <?CDATA $C2/m$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>C</mml:mi> <mml:mn>2</mml:mn> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:mi>m</mml:mi> </mml:math> -2 phase being dynamically stable. Electron–phonon calculations combined with Bardeen–Cooper–Schrieffer’s argument have shown that both phases are superconductors. Notably, the <?CDATA $Poverline{3}m1$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>P</mml:mi> <mml:mover> <mml:mn>3</mml:mn> <mml:mo accent=false>‾</mml:mo> </mml:mover> <mml:mi>m</mml:mi> <mml:mn>1</mml:mn> </mml:math> -1 phase undergoes a semiconductor-to-superconductor transition, with superconducting critical temperature ( <?CDATA $T_{mathrm c}$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:msub> <mml:mi>T</mml:mi> <mml:mrow> <mml:mrow> <mml:mi mathvariant=normal>c</mml:mi> </mml:mrow> </mml:mrow> </mml:msub> </mml:math> ) increasing up to a maximum of 9.13 K at 70 GPa. Both <?CDATA $C2/m$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>C</mml:mi> <mml:mn>2</mml:mn> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:mi>m</mml:mi> </mml:math> -1 and <?CDATA $Poverline{3}m1$?> <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:mi>P</mml:mi> <mml:mover> <mml:mn>3</mml:mn> <mml:mo accent=false>‾</mml:mo> </mml:mover> <mml:mi>m</mml:mi> <mml:mn>1</mml:mn> </mml:math> -2 phases exhibit superconductivity at 0 GPa. Our calculations demonstrate several new superconducting phases of Pd 3 P 2 S 8 , providing a pathway and platform for exploring superconductivity in materials with Kagome lattices and expanding the options for studying such lattices." @default.
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• W4386157229 date "2023-09-07" @default.
• W4386157229 modified "2023-10-14" @default.
• W4386157229 title "Superconductivity and phase transitions in Kagome compound Pd₃P₂S₈ from first-principles calculation" @default.
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• W4386157229 doi "https://doi.org/10.1088/1361-648x/acf42f" @default.
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