Electronic Structure of Novel Superconductor doped-ZrPSe
In this paper we report the results of the first-principles calculations for cation and anion co-doped system (Zr1-yYy)P(As0.25Se0.75) using virtual crystal approximation. The density of states at the Fermi level (=D(EF)) shows a dome-shape with respect to the doping concentration y. This result qua...
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| Veröffentlicht in: | Journal of physics. Conference series 2020-07, Vol.1590 (1), p.12008 |
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| creator | Hase, I Yanagisawa, T Kito, H. Iwakiri, K. Nishio, T. Fujihisa, H Gotoh, Y Eisaki, H Kawashima, K |
| description | In this paper we report the results of the first-principles calculations for cation and anion co-doped system (Zr1-yYy)P(As0.25Se0.75) using virtual crystal approximation. The density of states at the Fermi level (=D(EF)) shows a dome-shape with respect to the doping concentration y. This result qualitatively explains the observed y dependence of Tc, especially for (Zr1-yYy)P1.25Se0.75. We also found the similarity of the band structure between ZrSiS and doped-ZrPSe. Characteristic band crossing near E-g, which is found to be the Dirac line node in ZrSiS, is also found in doped-ZrPSe. This result strongly suggests that the superconductivity and the Dirac line node are co-existed in doped-ZrPSe. |
| doi_str_mv | 10.1088/1742-6596/1590/1/012008 |
| format | Article |
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| subjects | Electronic structure First principles Physics Superconductivity |
| title | Electronic Structure of Novel Superconductor doped-ZrPSe |
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