Shock anomaly and s-d transition in high-pressure lanthanum

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Linear-muffin-tin orbital calculations of the band structure and pressure-volume isotherms for fcc La, both at zero and finite temperatures. The calculated bulk modulus shows a rapid stiffening in the range from 40 to 50% compression, due to termination of the 6s to 5d electronic transition. When combined with a simple Slater model analysis, these results yield a temperature dependent peak in the lattice Grueneisen parameter. Experimental confirmation of this peak is found in an anomalous stiffening seen in the shock compression data for La, and it may also have some bearing on the observed saturation of the superconducting transition temperature ... continued below

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Pages: 7

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McMahan, A.K.; Skriver, H.L. & Johansson, B. July 23, 1981.

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Description

Linear-muffin-tin orbital calculations of the band structure and pressure-volume isotherms for fcc La, both at zero and finite temperatures. The calculated bulk modulus shows a rapid stiffening in the range from 40 to 50% compression, due to termination of the 6s to 5d electronic transition. When combined with a simple Slater model analysis, these results yield a temperature dependent peak in the lattice Grueneisen parameter. Experimental confirmation of this peak is found in an anomalous stiffening seen in the shock compression data for La, and it may also have some bearing on the observed saturation of the superconducting transition temperature in La around 200 kbar.

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Pages: 7

Notes

NTIS, PC A02/MF A01.

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  • Conference on high pressure physics, Bad Honnef, F.R. Germany, Aug 1981

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  • Other: DE81027659
  • Report No.: UCRL-86484
  • Report No.: CONF-810828-2
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 6199741
  • Archival Resource Key: ark:/67531/metadc1112275

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  • July 23, 1981

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  • Feb. 22, 2018, 7:45 p.m.

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  • April 9, 2018, 1:41 p.m.

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McMahan, A.K.; Skriver, H.L. & Johansson, B. Shock anomaly and s-d transition in high-pressure lanthanum, article, July 23, 1981; United States. (https://digital.library.unt.edu/ark:/67531/metadc1112275/: accessed March 19, 2019), University of North Texas Libraries, Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.