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  • 08월 28일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

Frustrated triangular antiferromagnetism of Cs2CuCl4 originating from the selective participation of the Cs 6p orbitals in the spin exchange interactions

등록일
2008년 8월 22일 18시 10분 17초
접수번호
1586
발표코드
31P174포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 <발표Ⅱ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
Jinhee Kang, Changhoon Lee1, Myung-Hwan Whangbo1
Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA & 원광대학교 자연과학대학 화학과 기초자연과학연구소, Korea
1Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, USA, Korea
In the magnetic solid Cs2CuCl4, which is made up of tetrahedral anions (CuCl4)2- and Cs+ cations, adjacent (CuCl4)2- ions are connected by Cs+ ions forming Cl…Cs…Cl bridges. The magnetic properties of Cs2CuCl4 are described by a two-dimensional (2D) frustrated antiferromagnetic triangular lattice. To understand why the 3D arrangement of (CuCl4)2- ions leads to a 2D magnetic behavior, We evaluated the various Cu-Cl…Cl-Cu SSE interactions between adjacent (CuCl4)2- ions by performing DFT calculations. This study showed that the 6p orbitals of Cs+ participate in the SSE interaction through the Cl…Cs…Cl bridges if the two (CuCl4)2- ions have a symmetric arrangement and if the Cl…Cs…Cl bridges are symmetric, and that the frustrated 2D triangular antiferromagnetism originates from this selective participation of the Cs 6p orbitals in the spin exchange interactions.

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