Probing the electronic structure of pure and doped $\text{Ce}M{\text{In}}_{5}$ $(M=\text{Co},\text{Rh},\text{Ir})$ crystals with nuclear quadrupolar resonance

Probing the electronic structure of pure and doped $Ce M {In}_{5}$ $(M = Co, Rh, Ir)$ crystals with nuclear quadrupolar resonance

Ján Rusz, Peter M. Oppeneer, Nicholas J. Curro, Ricardo R. Urbano, Ben-Li Young, S. Lebègue, Pascoal G. Pagliuso, Long D. Pham, Eric D. Bauer, John L. Sarrao, and Zachary Fisk

Phys. Rev. B 77, 245124 – Published 18 June 2008

Abstract

We report calculations of the electric-field gradients (EFGs) in pure and doped $Ce M {In}_{5}$ ( $M = Co$ , Rh, and Ir) compounds and compare with experiment. The degree to which the $Ce 4 f$ electron is localized is treated within various models: the local-density approximation, generalized gradient approximation (GGA), $GGA + U$ , and $4 f$ -core approaches. We find that there is a correlation between the observed EFG and whether the $4 f$ 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.

Received 5 March 2008

DOI:https://doi.org/10.1103/PhysRevB.77.245124

Authors & Affiliations

Ján Rusz^1,2,*, Peter M. Oppeneer¹, Nicholas J. Curro³, Ricardo R. Urbano⁴, Ben-Li Young⁵, S. Lebègue⁶, Pascoal G. Pagliuso⁷, Long D. Pham³, Eric D. Bauer⁴, John L. Sarrao⁴, and Zachary Fisk⁸

¹Department of Physics and Material Science, Uppsala University, Box 530, S-751 21 Uppsala, Sweden
²Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, CZ-182 21 Prague, Czech Republic
³Department of Physics, University of California, Davis, California 95616, USA
⁴Condensed Matter and Thermal Physics, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
⁵Department of Electrophysics, National Chiao Tung University, Hsinchu 300, Taiwan, Republic of China
⁶Laboratoire de Cristallographie et de Modélisation des Matériaux Minéraux et Biologiques, CNRS-Université Henri Poincaré, UMR 7036, B.P. 239, F-54506 Vandoeuvre-lès-Nancy, France
⁷Instituto de Física “Gleb Wataghin”, UNICAMP, 13083-970, Campinas-São Paulo, Brazil
⁸University of California, Irvine, California 92697-4573, USA

^*jan.rusz@fysik.uu.se

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand

Issue

Vol. 77, Iss. 24 — 15 June 2008

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Physical Review B

covering condensed matter and materials physics

Probing the electronic structure of pure and doped $Ce M {In}_{5}$ $(M = Co, Rh, Ir)$ crystals with nuclear quadrupolar resonance

Ján Rusz, Peter M. Oppeneer, Nicholas J. Curro, Ricardo R. Urbano, Ben-Li Young, S. Lebègue, Pascoal G. Pagliuso, Long D. Pham, Eric D. Bauer, John L. Sarrao, and Zachary Fisk

Phys. Rev. B 77, 245124 – Published 18 June 2008

Abstract

Authors & Affiliations

Article Text (Subscription Required)

References (Subscription Required)

Issue

Access Options

Physical Review B

covering condensed matter and materials physics

Probing the electronic structure of pure and doped CeMIn5 (M=Co,Rh,Ir) crystals with nuclear quadrupolar resonance

Ján Rusz, Peter M. Oppeneer, Nicholas J. Curro, Ricardo R. Urbano, Ben-Li Young, S. Lebègue, Pascoal G. Pagliuso, Long D. Pham, Eric D. Bauer, John L. Sarrao, and Zachary Fisk

Phys. Rev. B 77, 245124 – Published 18 June 2008

Abstract

Authors & Affiliations

Article Text (Subscription Required)

References (Subscription Required)

Issue

Access Options

Authorization Required

Other Options

Download & Share

Images

Figure 1

Figure 2

Figure 3

Figure 4

Figure 5

Figure 6

Figure 7

Log In

Search

Article Lookup

Paste a citation or DOI

Enter a citation

Probing the electronic structure of pure and doped $Ce M {In}_{5}$ $(M = Co, Rh, Ir)$ crystals with nuclear quadrupolar resonance