초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

현재 가능한 작업은 아래와 같습니다.
  • 08월 18일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제108회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Two ways of making a 13 valence electron system for polar intermetallic compounds containing indium: EuxIn4-xand EuZnyIn4-y

2011년 8월 4일 17시 18분 13초
Ⅳ-INOR.P-105 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
금 <발표Ⅳ>
저자 및
남근우, Svilen Bobev1, 유태수2
충북대학교 화학부 화학과, Korea
1Department of Chemistry and Biochemistry, University of Delaware, Newark, DE, USA, Korea
2충북대학교 화학과, Korea
Two different polar intermetallic compounds containing 13 valence electrons have been synthesized and characterized using single crystal X-ray diffractions and electronic structure calculations. Eu3In11 was obtained from the In molten metal-flux reaction, whereas EuZn1.04In2.96 was synthesized using the Nb-ampoule reaction. Eu3In11 crystallized in the orthorhombic space group Immm with two formula units per unit cell (La3Al11-type structure, Pearson symbol oI28). The lattice parameters are as follows: a = 4.731(1) ?, b = 10.974 (3) ?, c = 13.908(4) ?. The structural correlation with EuIn4-type and BaAl4-type structures are investigated from structural and electronic view points as well. EuZn1.04In2.96 adopts the prominent tetragonal space group I4/mmm with two formula units per unit cell (BaAl4-type structure, Pearson symbol tI10). The lattice parameters are: a = 4.5610(9) ?, c = 12.049(3) ?. Unlike other isostructural compounds, such as AEMgxTr4-x (AE = Sr, Ba; Tr = Ga, In), REZn2In2 (RE = La, Ce), where elements with greater electronegativities occupy the apical (4e) site, but similar to AEMxIn4-x (AE = Sr, Ba; M = Mg, Zn), Zn with a smaller electronegativity is located at the apical site, whereas In with a larger atomic size occupies the basal (4d) site. Therefore, the apical site displays mixed-occupation of In and Zn, and the basal site is fully occupied only by In. The observed site preference and Zn substitution are also rationale by QVAL values and band energies calculated from several different coloring schemes.