Artículo
Faraggi, M.N.; Zubizarreta, X.; Arnau, A.; Silkin, V.M. "On the stability of the electronic system in transition metal dichalcogenides" (2016) Journal of Physics Condensed Matter. 28(18)
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Abstract:
Based on first-principles calculations, we prove that the origin of charge-density wave formation in metallic layered transition metal dichalcogenides (TMDC) is not due to an electronic effect, like the Fermi surface (FS) nesting, as it had been proposed. In particular, we consider NbSe2, NbS2, TaSe2, and TaS2 as representative examples of 2H-TMDC polytypes. Our main result consists that explicit inclusion of the matrix elements in first-principles calculations of the electron susceptibility removes, due to strong momentum dependence of the matrix elements, almost all the information about the FS topologies in the resulting . This finding strongly supports an interpretation in which the momentum dependence of the electron-phonon interaction is the only reason why the phenomenon of charge-density waves appears in this class of materials. © 2016 IOP Publishing Ltd.
Registro:
| Documento: | Artículo |
| Título: | On the stability of the electronic system in transition metal dichalcogenides |
| Autor: | Faraggi, M.N.; Zubizarreta, X.; Arnau, A.; Silkin, V.M. |
| Filiación: | Donostia International Physics Center (DIPC), P. de Manuel Lardizabal, 4, San Sebastián, Basque Country, 20018, Spain Instituto de Astronomía y Física Del Espacio, Conicet, Buenos Aires, Argentina École Normale Supérieure, Département de Chimie, Sorbone Université, UPMC Univ. Paris 06, CNRS UMP 8640, Paris, France Departamento de Física de Materiales, Facultad de Ciencias Químicas, Universidad Del País Vasco, Euskal Herriko Unibertsitatea, Apdo. 1072, San Sebastián/Donostia, Basque Country, Spain Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, Halle, 06120, Germany Centro de Física de Materiales CFM, Materials Physics Center MPC, Centro Mixto CSIC-UPV/EHU, P. de Manuel Lardizabal 5, San Sebastián, 20018, Spain IKERBASQUE, Basque Foundation for Science, Bilbao, 48011, Spain |
| Palabras clave: | chargedensity wave systems; dielectic response function; transition metals and alloys; Calculations; Charge density; Charge density waves; Electron-phonon interactions; Metallurgy; Metals; Phonons; Charge density wave formation; Charge-density-wave systems; Electron susceptibility; First-principles calculation; Layered transition metal dichalcogenides; Response functions; Transition metal dichalcogenides; Transition metals and alloys; Transition metals |
| Año: | 2016 |
| Volumen: | 28 |
| Número: | 18 |
| DOI: | http://dx.doi.org/10.1088/0953-8984/28/18/184004 |
| Título revista: | Journal of Physics Condensed Matter |
| Título revista abreviado: | J Phys Condens Matter |
| ISSN: | 09538984 |
| CODEN: | JCOME |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v28_n18_p_Faraggi |
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Citas:
---------- APA ----------
Faraggi, M.N., Zubizarreta, X., Arnau, A. & Silkin, V.M. (2016) . On the stability of the electronic system in transition metal dichalcogenides. Journal of Physics Condensed Matter, 28(18).http://dx.doi.org/10.1088/0953-8984/28/18/184004
---------- CHICAGO ----------
Faraggi, M.N., Zubizarreta, X., Arnau, A., Silkin, V.M. "On the stability of the electronic system in transition metal dichalcogenides" . Journal of Physics Condensed Matter 28, no. 18 (2016).http://dx.doi.org/10.1088/0953-8984/28/18/184004
---------- MLA ----------
Faraggi, M.N., Zubizarreta, X., Arnau, A., Silkin, V.M. "On the stability of the electronic system in transition metal dichalcogenides" . Journal of Physics Condensed Matter, vol. 28, no. 18, 2016.http://dx.doi.org/10.1088/0953-8984/28/18/184004
---------- VANCOUVER ----------
Faraggi, M.N., Zubizarreta, X., Arnau, A., Silkin, V.M. On the stability of the electronic system in transition metal dichalcogenides. J Phys Condens Matter. 2016;28(18).http://dx.doi.org/10.1088/0953-8984/28/18/184004
