본문 바로가기
HOME> 논문 > 논문 검색상세

논문 상세정보

Materials chemistry and physics v.211, 2018년, pp.428 - 437  

First principles study of ferromagnetism, optical and thermoelectric behaviours of AVO3 (A = Ca, Sr, Ba) perovskites

Mahmood, Q. (Institute of Physics, Centre for Advanced Studies in Physics (CASP), Government College (GC), University Lahore, 54000, Pakistan ) ; Ali, S.A. (Materials Growth and Simulation Laboratory, Department of Physics, University of the Punjab, Lahore, 54590, Pakistan ) ; Hassan, M. (Materials Growth and Simulation Laboratory, Department of Physics, University of the Punjab, Lahore, 54590, Pakistan ) ; Laref, A. (Department of Physics and Astronomy, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia ) ;
  • 초록  

    Abstract The structural, magnetic, optical and thermoelectric characteristics of CaVO 3 , SrVO 3 and BaVO 3 perovskite compounds computed by DFT scheme are presented. The electronic properties are computed to confirm the half-metallic ferromagnetism. The comparisons of crystal field, John Teller and the exchange energies elucidate that the electronic spins play a major role in inducing ferromagnetism. The complete set of computed optical parameters illustrate that the investigated perovskites are active for the visible and ultraviolet regions. The thermoelectric characteristics thoroughly elaborated, within the temperature range 200–800K, illustrate that the perovskites are also suitable for the energy renewable device applications. Highlights The half-metallic perovskites under the influence of cation variation is investigated. Exchange splittings higher than crystal field and John-Teller splittings evidence stable ferromagnetism. The magnetic moment of V reduces, while it induces at nonmagnetic locations that show strong hybridization. A broad absorption region in the visible and the UV energy illustrate potential optoelectronic applications. Thermoelectric behaviours illustrate that, except SrVO 3 , perovskites are suitable at lower temperatures.


  • 주제어

    Half-metallic ferromagnetism .   Density functional theory .   Optical properties .   Thermoelectric properties.  

 활용도 분석

  • 상세보기

    amChart 영역
  • 원문보기

    amChart 영역

원문보기

무료다운로드
  • 원문이 없습니다.

유료 다운로드의 경우 해당 사이트의 정책에 따라 신규 회원가입, 로그인, 유료 구매 등이 필요할 수 있습니다. 해당 사이트에서 발생하는 귀하의 모든 정보활동은 NDSL의 서비스 정책과 무관합니다.

원문복사신청을 하시면, 일부 해외 인쇄학술지의 경우 외국학술지지원센터(FRIC)에서
무료 원문복사 서비스를 제공합니다.

NDSL에서는 해당 원문을 복사서비스하고 있습니다. 위의 원문복사신청 또는 장바구니 담기를 통하여 원문복사서비스 이용이 가능합니다.

이 논문과 함께 출판된 논문 + 더보기