Competing magnetic instabilities and self-doping effects in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>KFe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>As</mml:mi> <mml:mn>2</mml:mn> </mml:ms

By applying density functional theory calculations, we study the electronic and magnetic properties of <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>KFe</a:mi> <a:mn>2</a:mn> </a:msub> <a:msub> <a:mi>As</a:mi> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> , which exhibits two superconducting domes under pressure. We find there are competing magnetic instabilities from itinerant electrons in both superconducting phases. The lower <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>T</b:mi> <b:mi>c</b:mi> </b:msub> </b:math> of the first superconducting phase at ambient pressure can be attributed to the competing instabilities at <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:mo>(</c:mo> <c:mi>π</c:mi> <c:mo>,</c:mo> <c:mn>0</c:mn> <c:mo>,</c:mo> <c:mi>π</c:mi> <c:mo>)</c:mo> </c:mrow> </c:math> , which favor the double stripe type or plaquette antiferromagnetic order. The second superconducting phase is further suppressed by the competing ferromagnetic and stripe antiferromagnetic instabilities at higher pressure. In addition, we find that applying pressure acts as self-doping, leading to variations in instabilities from the itinerant electrons. Our results imply that the instability of the Pauli susceptibility from itinerant electrons is a possible quantity that describes the various characters of <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:msub> <d:mi>KFe</d:mi> <d:mn>2</d:mn> </d:msub> <d:msub> <d:mi>As</d:mi> <d:mn>2</d:mn> </d:msub> </d:mrow> </d:math> under pressure and have important implications for understanding the pressure manipulation of superconductivity in iron-based superconductors.

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Publication Details

Journal
Physical Review Research
Published
2026-02-02
DOI
https://doi.org/10.1103/ypl2-vb2z
Primary Topic
Iron-based superconductors research
Type
article
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article

Competing magnetic instabilities and self-doping effects in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>KFe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>As</mml:mi> <mml:mn>2</mml:mn> </mml:ms

Gang Zhao, Y. Zhang, Anonymous, Li-Ya Qiao
Physical Review Research
Iron-based superconductors research
article

Competing magnetic instabilities and self-doping effects in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>KFe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>As</mml:mi> <mml:mn>2</mml:mn> </mml:ms

Gang Zhao, Y. Zhang, Anonymous, Li-Ya Qiao
article en

Abstract

By applying density functional theory calculations, we study the electronic and magnetic properties of <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>KFe</a:mi> <a:mn>2</a:mn> </a:msub> <a:msub> <a:mi>As</a:mi> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> , which exhibits two superconducting domes under pressure. We find there are competing magnetic instabilities from itinerant electrons in both superconducting phases. The lower <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>T</b:mi> <b:mi>c</b:mi> </b:msub> </b:math> of the first superconducting phase at ambient pressure can be attributed to the competing instabilities at <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:mo>(</c:mo> <c:mi>π</c:mi> <c:mo>,</c:mo> <c:mn>0</c:mn> <c:mo>,</c:mo> <c:mi>π</c:mi> <c:mo>)</c:mo> </c:mrow> </c:math> , which favor the double stripe type or plaquette antiferromagnetic order. The second superconducting phase is further suppressed by the competing ferromagnetic and stripe antiferromagnetic instabilities at higher pressure. In addition, we find that applying pressure acts as self-doping, leading to variations in instabilities from the itinerant electrons. Our results imply that the instability of the Pauli susceptibility from itinerant electrons is a possible quantity that describes the various characters of <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:msub> <d:mi>KFe</d:mi> <d:mn>2</d:mn> </d:msub> <d:msub> <d:mi>As</d:mi> <d:mn>2</d:mn> </d:msub> </d:mrow> </d:math> under pressure and have important implications for understanding the pressure manipulation of superconductivity in iron-based superconductors.

Physical Review ResearchVol. 8(1)
Tongji University (CN), Ludong University (CN)
Openalex Percentile: Top 70%
Iron-based superconductors research
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