Evidence of charge susceptibility and multiple f- c hybridization configurations with the La doping in CeGe: a DFT + DMFT study

Karan Singh; Antik Sihi; Sudhir K Pandey; K Mukherjee

doi:10.1088/1361-648X/acd09a

Evidence of charge susceptibility and multiple f- c hybridization configurations with the La doping in CeGe: a DFT + DMFT study

J Phys Condens Matter. 2023 May 10;35(31). doi: 10.1088/1361-648X/acd09a.

Authors

Karan Singh¹, Antik Sihi¹, Sudhir K Pandey², K Mukherjee¹

Affiliations

¹ School of Physical Sciences, Indian Institute of Technology Mandi, Mandi 175075, Himachal Pradesh, India.
² School of Mechanical and Materials Engineering, Indian Institute of Technology Mandi, Mandi 175075, Himachal Pradesh, India.

PMID: 37161911
DOI: 10.1088/1361-648X/acd09a

Abstract

Kondo coupling has been extensively investigated in several Ce-based systems. However, the search for materials showing the interplay between the Kondo effect, spin-orbit interaction, and crystal-field effect along with the presence of local charge susceptibility; remains a challenge for the condensed matter community. Actually, in Ce-based systems, the strong coupling of the conduction electrons to the local magnetic moments usually hides these properties. Here, we present a detailed investigation of Ce_0.6La_0.4Ge through a combined density functional theory and dynamic mean-field theory study. Our investigations give evidence of the significant charge susceptibility and the multiple differentf-chybridization configurations. The weakening of the magnetization owing to the dilution of the Ce-site is the main cause for the appearance of such properties, which is believed to occur due to the presence of the relevant local moment andf-chybridization over the competition with the on-site Coulomb interaction.

Keywords: density-functional theory; heavy fermions; scattering mechanisms and Kondo effect; strongly correlated electron systems.