Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi
The noncentrosymmetric NbReSi superconductor with <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>T</mi><mi>c</mi></msub><mo>≃</mo><mn>6.5<...
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MDPI AG
2022-12-01
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| Online Access: | https://www.mdpi.com/1996-1944/16/1/78 |
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| author | Surajit Basak Andrzej Ptok |
| author_facet | Surajit Basak Andrzej Ptok |
| author_sort | Surajit Basak |
| collection | DOAJ |
| description | The noncentrosymmetric NbReSi superconductor with <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>T</mi><mi>c</mi></msub><mo>≃</mo><mn>6.5</mn></mrow></semantics></math></inline-formula> K is characterized by the relatively large upper critical magnetic field. Its multigap features were observed experimentally. Recent studies suggested the realization of P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m or Ima2 symmetry. We discuss the dynamical properties of both symmetries (e.g., phonon spectra). In this paper, using the ab initio techniques, we clarify this ambiguity, and conclude that the Ima2 symmetry is unstable, and P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m should be realized. The P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m symmetry is also stable in the presence of external hydrostatic pressure. We show that NbReSi with the P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m symmetry should host phonon surface states for (100) and (110) surfaces. Additionally, we discuss the main electronic properties of the system with the stable symmetry. |
| first_indexed | 2024-03-11T09:56:07Z |
| format | Article |
| id | doaj.art-8c690d01e8da4db89ab5d92b7f143442 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-11T09:56:07Z |
| publishDate | 2022-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-8c690d01e8da4db89ab5d92b7f1434422023-11-16T15:46:42ZengMDPI AGMaterials1996-19442022-12-011617810.3390/ma16010078Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSiSurajit Basak0Andrzej Ptok1Institute of Nuclear Physics, Polish Academy of Sciences, W. E. Radzikowskiego 152, PL-31342 Kraków, PolandInstitute of Nuclear Physics, Polish Academy of Sciences, W. E. Radzikowskiego 152, PL-31342 Kraków, PolandThe noncentrosymmetric NbReSi superconductor with <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>T</mi><mi>c</mi></msub><mo>≃</mo><mn>6.5</mn></mrow></semantics></math></inline-formula> K is characterized by the relatively large upper critical magnetic field. Its multigap features were observed experimentally. Recent studies suggested the realization of P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m or Ima2 symmetry. We discuss the dynamical properties of both symmetries (e.g., phonon spectra). In this paper, using the ab initio techniques, we clarify this ambiguity, and conclude that the Ima2 symmetry is unstable, and P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m should be realized. The P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m symmetry is also stable in the presence of external hydrostatic pressure. We show that NbReSi with the P<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mover accent="true"><mn>6</mn><mo stretchy="false">¯</mo></mover></semantics></math></inline-formula>2m symmetry should host phonon surface states for (100) and (110) surfaces. Additionally, we discuss the main electronic properties of the system with the stable symmetry.https://www.mdpi.com/1996-1944/16/1/78noncentrosymmetric superconductorphononssurface statesspin–orbit coupling |
| spellingShingle | Surajit Basak Andrzej Ptok Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi Materials noncentrosymmetric superconductor phonons surface states spin–orbit coupling |
| title | Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi |
| title_full | Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi |
| title_fullStr | Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi |
| title_full_unstemmed | Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi |
| title_short | Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi |
| title_sort | theoretical study of dynamical and electronic properties of noncentrosymmetric superconductor nbresi |
| topic | noncentrosymmetric superconductor phonons surface states spin–orbit coupling |
| url | https://www.mdpi.com/1996-1944/16/1/78 |
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