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| DOI | 10.1039/C9TC02095K | ||||
| Año | 2019 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Among layered metal diborides, MB2, only MgB2 is a superconductor. We explicate the details of the chemical bonding in the diboride series, and, based on those, propose a strategy for the application of anisotropic mechanical stress that could lead to the superconducting behavior in some transition metal diborides, particularly in ScB2. The key aspect detrimental to superconductivity is found to be the covalent metal-boron bonding enabled by the presence of d-electrons on the metal. We show that, based on the differential response to electronic states of different angular momenta to anisotropic strain or compression, the covalent overlap can be strategically manipulated. The metal-boron covalency in ScB2 can be removed when the lattice is compressed along the ab-direction, or stretched along the c-direction. Both types of stress are characterized by the rise of the degenerate sigma-band toward crossing the Fermi level. The elongation along c also softens the degenerate E-2g phonon that can split this sigma-band to produce Cooper pairs. More generally, while the effect of mechanical stress on superconductivity has been seen before, it was not known what exactly the stress achieves. Here we explicate this on the example of a particular alloy family. Our findings can lead to strategies for choosing the type and strength of mechanical stress for the manipulation of materials' vibronic structures toward superconductivity.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Zhai, Huanchen | - |
UNIV CALIF LOS ANGELES - Estados Unidos
University of California, Los Angeles - Estados Unidos |
| 2 | MUNOZ-SAEZ, FRANCISCO JAVIER | Hombre |
Universidad de Chile - Chile
Centro para el Desarrollo de la Nanociencia y la Nanotecnologia - Chile |
| 3 | Alexandrova, Anastassia N. | Mujer |
UNIV CALIF LOS ANGELES - Estados Unidos
Calif NanoSyst Inst - Estados Unidos University of California, Los Angeles - Estados Unidos California NanoSystems Institute - Estados Unidos |
| Fuente |
|---|
| FONDECYT |
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Fondo Nacional de Desarrollo CientÃfico y Tecnológico |
| Center for the Development of Nanoscience and Nanotechnology CEDENNA |
| NSF-CAREER |
| Agradecimiento |
|---|
| Financial support comes from the NSF-CAREER Award CHE-1351968 to A. N. A. F. M. was funded by FONDECYT Grants 1150806 and 1191353, and the Center for the Development of Nanoscience and Nanotechnology CEDENNA FB0807. We also acknowledge the XSEDE for computational resources. |
| Financial support comes from the NSF-CAREER Award CHE-1351968 to A. N. A. F. M. was funded by FONDECYT Grants 1150806 and 1191353, and the Center for the Development of Nanoscience and Nanotechnology CEDENNA FB0807. We also acknowledge the XSEDE for computational resources. |