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ЖУРНАЛЫ // Письма в Журнал экспериментальной и теоретической физики // Архив

Письма в ЖЭТФ, 2011, том 94, выпуск 2, страницы 146–150 (Mi jetpl1968)

Эта публикация цитируется в 9 статьях

КОНДЕНСИРОВАННОЕ СОСТОЯНИЕ

Nature of the electronic states involved in the chemical bonding and superconductivity at high pressure in SnO

J. A. McLeoda, A. V. Lukoyanovbc, È. Z. Kurmaevb, L. D. Finkel’shtein, A. Moewesa

a Department of Physics and Engineering Physics, University of Saskatchewan
b Institute of Metal Physics, Ural Division of the Russian Academy of Sciences
c Ural State University

Аннотация: We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to $19.3$ GPa where superconductivity was observed. It was found that the Sn valence states ($5s$, $5p$, and ${5d}$ are strongly hybridized with the O ${2p}$-states, and that our DFT-calculations are in good agreement with O $K$-edge $X$-ray spectroscopy measurements for both occupied and empty states. It was demonstrated that the metallic states appearing under pressure in the semiconducting gap stem due to the transformation of the weakly hybridized O ${2p}$–Sn ${5sp}$ subband corresponding to the lowest valence state of Sn in SnO. We discuss the nature of the electronic states involved in chemical bonding and formation of the hole and electron pockets with nesting as a possible way to superconductivity.

Поступила в редакцию: 01.06.2011

Язык публикации: английский


 Англоязычная версия: Journal of Experimental and Theoretical Physics Letters, 2011, 94:2, 142–146

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