Electronic Characteristics of Quasi-2D Metallochloronitrides: Na(x)HfNCL (T_c=25 K)
Autor: | R. Weht, Warren E. Pickett, Alessio Filippetti |
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Rok vydání: | 1999 |
Předmět: |
Superconductivity
Condensed Matter - Materials Science Materials science Condensed matter physics Condensed Matter - Superconductivity Doping Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Electronic structure Alkali metal 01 natural sciences 3. Good health 010305 fluids & plasmas Ion Metal Crystal Superconductivity (cond-mat.supr-con) Atomic orbital visual_art Condensed Matter::Superconductivity 0103 physical sciences visual_art.visual_art_medium 010306 general physics |
DOI: | 10.48550/arxiv.cond-mat/9903214 |
Popis: | Local density functional results are presented for the electron-doped metallochloronitrides A(x)ZrNCl and A(x)HfNCl, A = Li or Na, which superconduct up to 25K. The alkali non-stoichiometry is treated in a virtual crystal approximation. The electronic structure is strongly two dimensional, especially in the conduction band region occupied by the carriers, because the states are formed from the in-plane orbitals d_xy, d_{x^2-y^2} of the metal ion and the p_x, p_y orbitals of the N ion. We predict a change of behavior at a doping level of x=0.3. Comment: To appear in Proc. HTS99 Conf., Miami 1999. Four revtex pages, 5 embedded postscript figures |
Databáze: | OpenAIRE |
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