標題: Probing the electronic structure of pure and doped CeMIn(5) (M=Co,Rh,Ir) crystals with nuclear quadrupolar resonance
作者: Rusz, Jan
Oppeneer, Peter M.
Curro, Nicholas J.
Urbano, Ricardo R.
Young, Ben-Li
Lebegue, S.
Pagliuso, Pascoal G.
Pham, Long D.
Bauer, Eric D.
Sarrao, John L.
Fisk, Zachary
電子物理學系
Department of Electrophysics
公開日期: 1-六月-2008
摘要: We report calculations of the electric-field gradients (EFGs) in pure and doped CeMIn(5) (M=Co, Rh, and Ir) compounds and compare with experiment. The degree to which the Ce 4f electron is localized is treated within various models: the local-density approximation, generalized gradient approximation (GGA), GGA+U, and 4f-core approaches. We find that there is a correlation between the observed EFG and whether the 4f electron participates in the band formation or not. We also find that the EFG evolves linearly with Sn doping in CeRhIn(5), suggesting the electronic structure is modified by doping. In contrast, the observed EFG in CeCoIn(5) doped with Cd changes little with doping. These results indicate that nuclear quadrupolar resonance is a sensitive probe of electronic structure.
URI: http://dx.doi.org/10.1103/PhysRevB.77.245124
http://hdl.handle.net/11536/8744
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.77.245124
期刊: PHYSICAL REVIEW B
Volume: 77
Issue: 24
結束頁: 
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