Progress in Superconductivity

The Korean Superconductivity Society (한국초전도학회)
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Electronic and Magnetic Structures of {Ca,Sr,Ba}$Fe_2As_2$ : Dynamical Mean Field Theory Approach

{Ca,Sr,Ba}$Fe_2As_2$의 전자 및 자성 구조: 동력학적 평균장 이론 접근

  • Lee, Geun-Sik (Department of Chemistry, Pohang University of Science and Technology) ;
  • Shim, Ji-Hoon (Department of Chemistry, Pohang University of Science and Technology)
  • Received : 2011.11.03
  • Accepted : 2011.12.02
  • Published : 2011.12.31
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Abstract

Using the density functional theory and its combination to the dynamical mean field theory (DMFT), we have studied the electronic and magnetic structures of Fe-based superconductors, $AFe_2As_2$ (A=Ca, Sr, Ba). Our results for the electronic structure agree well with existing angle resolved photoemission spectroscopy (ARPES) data. The temperature dependent magnetization has been calculated using DMFT, and the magnetic transition temperatures are reasonably consistent with the experimentally observed trend for three compounds.

제일원리 DFT+DMFT방법을 사용하여 철계열 고온초전도체 122 화합물 $AFe_2As_2$ (A=Ca, Sr, Ba) 에 대한 전자 및 자성 구조를 계산하였다. 계산된 전자구조는 실험에서 보고된 ARPES 결과와 어느 정도 일치함을 확인했다. 또한 계산을 통해 얻은 반자성 전이온도는 실험과 동일한 경향을 보여준다.

Keywords

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