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Understanding of magnetic behavior of the pseudo-binary Co2-xNixZn11: in the light of crystal and electronic structures.
Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim.
Afiliación
  • Mondal A; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Kuila SK; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Pan R; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Patel S; Department of Physics, IIT Kharagpur, Kharagpur 721302, India.
  • Buxi K; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Saha S; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Ghanta S; Department of Chemistry, IIT Kharagpur, Kharagpur 721302, India. ppj@chem.iitkgp.ac.in.
  • Avdeev M; Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia.
  • Jana PP; School of Chemistry, The University of Sydney, Sydney 2006, Australia.
Dalton Trans ; 53(34): 14333-14346, 2024 Aug 27.
Article en En | MEDLINE | ID: mdl-39136138
ABSTRACT
A high-temperature synthetic approach is used to prepare a series of pseudo-binary phases-Co2-xNixZn11. In the structures of Co2-xNixZn11, the statistical distribution between Co and Ni that is suggested by compositional analysis is confirmed by combined refinements of X-ray and neutron powder diffraction (NPD) experimental data. The aforementioned phases adopt a body-centered cubic lattice with a noncentrosymmetric space group I4̄3m (217). Their crystal structures comprise two 26-atom γ-brass clusters. Each γ-cluster is made of four sequential polyhedral shells inner tetrahedron (IT), outer tetrahedron (OT), octahedron (OH), and distorted cuboctahedron (CO). Diffraction experiments and the computations endorse that the OT site is statistically distributed by Co and Ni atoms, while the other three sites (IT, OH, and CO) are occupied by Zn atoms. The density of states (DOS) curve for Co1.5Ni0.5Zn11 displays a similar feature as binary Co2Zn11, whereas the wide pseudo-gap is formed near EF as Ni-concentration increases in Co2-xNixZn11. Bonding analysis shows that this specific atomic distribution nearly optimizes heteroatomic Co/Ni-Zn contacts in the Co1.0Ni1.0Zn11 and Co0.5Ni1.5Zn11. The Co1.7Ni0.3Zn11 exhibit paramagnetic behavior, whereas Co0.5Ni1.5Zn11 shows distinct diamagnetic behavior. With the increase in Ni concentration in the structure of Co2-xNixZn11, Ni atoms gradually substitute the Co atoms at OT sites; hence, magnetic characteristics change from para- to diamagnetism.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Dalton Trans Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido