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Title: {ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds

Abstract

We have calculated the band-f hybridizations for Ce{sub x}La{sub 1-x}M{sub 3} compounds (x=1 and x{r_arrow}0; M=Pb,In,Sn,Pd) within the local density approximation and fed this into a noncrossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds. {copyright} {ital 1997} {ital The American Physical Society}

Authors:
; ;  [1]; ;  [2];  [3]
  1. Department of Physics, The Ohio State University, Columbus, Ohio 43210 (United States)
  2. Institute for Theoretical Physics, University of California, Santa Barbara, California 93106-4030 (United States)
  3. IPCMS, Universite Louis Pasteur, 23 rue de loess, Strasbourg (France)
Publication Date:
OSTI Identifier:
450449
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 78; Journal Issue: 5; Other Information: PBD: Feb 1997
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 66 PHYSICS; CERIUM COMPOUNDS; KONDO EFFECT; LANTHANUM COMPOUNDS; LEAD COMPOUNDS; INDIUM COMPOUNDS; TIN COMPOUNDS; PALLADIUM COMPOUNDS; CRYSTAL FIELD; HYBRIDIZATION; ELECTRONIC STRUCTURE; MAGNETIC SUSCEPTIBILITY; Anderson model

Citation Formats

Han, J, Alouani, M, Cox, D, Han, J, Cox, D, and Alouani, M. {ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds. United States: N. p., 1997. Web. doi:10.1103/PhysRevLett.78.939.
Han, J, Alouani, M, Cox, D, Han, J, Cox, D, & Alouani, M. {ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds. United States. https://doi.org/10.1103/PhysRevLett.78.939
Han, J, Alouani, M, Cox, D, Han, J, Cox, D, and Alouani, M. 1997. "{ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds". United States. https://doi.org/10.1103/PhysRevLett.78.939.
@article{osti_450449,
title = {{ital Ab Initio} Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce Compounds},
author = {Han, J and Alouani, M and Cox, D and Han, J and Cox, D and Alouani, M},
abstractNote = {We have calculated the band-f hybridizations for Ce{sub x}La{sub 1-x}M{sub 3} compounds (x=1 and x{r_arrow}0; M=Pb,In,Sn,Pd) within the local density approximation and fed this into a noncrossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds. {copyright} {ital 1997} {ital The American Physical Society}},
doi = {10.1103/PhysRevLett.78.939},
url = {https://www.osti.gov/biblio/450449}, journal = {Physical Review Letters},
number = 5,
volume = 78,
place = {United States},
year = {Sat Feb 01 00:00:00 EST 1997},
month = {Sat Feb 01 00:00:00 EST 1997}
}