CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Electronic properties and topological phases of ThXY (X=Pb, Au, Pt and Y= Sb, Bi, Sn) compounds |
Zahra Nourbakhsh, Aminollah Vaez |
Physics Department, Faculty of Science, University of Isfahan, Isfahan, Iran |
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Abstract The electronic properties and topological phases of ThXY (X=Pb, Au, Pt, Pd and Y= Sb, Bi, Sn) compounds in the presence of spin-orbit coupling, using density functional theory are investigated. The ThPtSn compound is stable in the ferromagnetic phase and the other ThXY compounds are stable in nonmagnetic phases. Band structures of these compounds in topological phases (insulator or metal) and normal phases within generalized gradient approximation (GGA) and Engel-Vosko generalized gradient approximation (GGA_EV) are compared. The ThPtSn, ThPtBi, ThPtSb, ThPdBi, and ThAuBi compounds have topological phases and the other ThXY compounds have normal phases. Band inversion strengths and topological phases of these compounds at different pressure are studied. It is seen that the band inversion strengths of these compounds are sensitive to pressure and for each compound a second-order polynomial fitted on the band inversion strengths-pressure curves.
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Received: 31 August 2015
Revised: 09 November 2015
Accepted manuscript online:
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PACS:
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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Corresponding Authors:
Aminollah Vaez
E-mail: vaez@sci.ui.ac.ir
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Cite this article:
Zahra Nourbakhsh, Aminollah Vaez Electronic properties and topological phases of ThXY (X=Pb, Au, Pt and Y= Sb, Bi, Sn) compounds 2016 Chin. Phys. B 25 037101
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