Determination of Strongly Interacting Spin Exchange Path and Spin Lattice Model of (VO)2(H2O){O3P-(CH2)3-PO3}ㆍ2H2O on the Basis of Spin Dimer Analysis

Determination of Strongly Interacting Spin Exchange Path and Spin Lattice Model of (VO)₂(H₂O){O₃P-(CH₂)₃-PO₃}ㆍ2H₂O on the Basis of Spin Dimer Analysis
Determination of Strongly Interacting Spin Exchange Path and Spin Lattice Model of (VO)₂(H₂O){O₃P-(CH₂)₃-PO₃}ㆍ2H₂O on the Basis of Spin Dimer Analysis

ㆍ 저자명: Kim. Dae-Hyun,Koo. Hyun-Joo
ㆍ 간행물명: Bulletin of the Korean Chemical Society
ㆍ 권/호정보: 2010년|31권 6호|pp.1665-1668 (4 pages)
ㆍ 발행정보: 대한화학회
ㆍ 파일정보: 정기간행물|ENG|
PDF텍스트
ㆍ 주제분야: 기타

이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.

서지반출

기타언어초록

The spin exchange interactions of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{cdot}2H_2O$ were examined by spin dimer analysis based on extended Huckel tight binding method. The strongest spin exchange interaction occurs through the super-superexchange path $J_2$ and the second strongest spin exchange interaction occurs through the superexchange interaction path $J_1$. There are two strongly interacting spin exchange paths in $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{cdot}2H_2O$. Therefore, magnetic susceptibility curve of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{cdot}2H_2O$ can be well reproduced by an alternating onedimensional antiferromagnetic chain model rather than an isolated spin dimer model.

키워드

Spin dimer analysis Magnetic orbital Spin exchange interactions Electronic structure calculations

다운URL