Structural Changes and Jahn-Teller-Effect of K_2CuF_4 under Pressure(Condensed Matter : Structure, Mechanical and Thermal Properties)

スポンサーリンク

概要

• 論文の詳細を見る

• It is shown that with a numerical analysis, based on band structure calculations, using standard local spin density approximations the structural details of K_2CuF_4 can be reproduced. We compare with Ishizuka et al.'s pressure dependence measured up to 14 GPa with synchrotron radiation. Corrections have to be made on the results of the local density calculations, however, like the "over-binding" which gives too small sizes for the lattice constants. Using the Wien code one can predict Jahn-Teller distortions in the low and in the high pressure phase of K_2CuF_4 in fair accord with the observation.

• 社団法人日本物理学会の論文
• 2005-12-15

著者

• Schotte Klaus‐dieter

  Freie Univ. Berlin Berlin Deu

• LIANG Ching

  Insitut fur theoretische Physik, Freie Universitat Berlin

• SCHOTTE Klaus-Dieter

  Insitut fur theoretische Physik, Freie Universitat Berlin

• Liang Ching

  Insitut Fur Theoretische Physik Freie Universitat Berlin

関連論文

• Structural Changes and Jahn-Teller-Effect of K_2CuF_4 under Pressure(Condensed Matter : Structure, Mechanical and Thermal Properties)

スポンサーリンク