Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations (2018)
- Authors:
- USP affiliated authors: ELENO, LUIZ TADEU FERNANDES - EEL ; PETRILLI, HELENA MARIA - IF ; MACHADO, ANTONIO JEFFERSON DA SILVA - EEL
- Unidades: EEL; IF
- DOI: 10.1103/PhysRevB.98.045126
- Subjects: ESTRUTURA ELETRÔNICA; SUPERCONDUTIVIDADE; FÍSICA DA MATÉRIA CONDENSADA
- Agências de fomento:
- Language: Inglês
- Abstract: The HfV2Ga4 compound was recently reported to exhibit unusual bulk superconducting properties, with the possibility of multiband behavior. To gain insight into its properties, we performed ab initio electronic-structure calculations based on the density functional theory (DFT). Our results show that the density of states at the Fermi energy is mainly composed by V-𝑑 states. The McMillan formula predicts a superconducting critical temperature (𝑇𝑐) of approximately 3.9 K, in excellent agreement with the experimental value at 4.1 K, indicating that superconductivity in this new compound may be explained by the electron-phonon mechanism. Calculated valence charge density maps clearly show directional bonding between Hf and V atoms with 1D highly populated V chains and some ionic character between Hf-Ga and V-Ga bonds. Finally, we have shown that there are electrons occupying two distinct bands at the Fermi level, with different characters, which supports experimental indications of possible multiband superconductivity. Based on the results, we propose the study of a related compound, ScV2Ga4, showing that it has similar electronic properties, but probably with a higher 𝑇𝑐 than HfV2Ga4.
- Imprenta:
- Source:
- Título: Physical Review B
- Volume/Número/Paginação/Ano: v. 98, n. 4, p. 1-7, 2018
- Status:
- Artigo possui versão em acesso aberto em repositório (Green Open Access)
- Versão do Documento:
- Versão submetida (Pré-print)
- Acessar versão aberta:
-
ABNT
FERREIRA, P. P et al. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations. Physical Review B, v. 98, n. 4, p. 1-7, 2018Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.98.045126. Acesso em: 01 abr. 2026. -
APA
Ferreira, P. P., Santos, F. B., Machado, A. J. S., Eleno, L. T. F., & Petrilli, H. M. (2018). Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations. Physical Review B, 98( 4), 1-7. doi:10.1103/PhysRevB.98.045126 -
NLM
Ferreira PP, Santos FB, Machado AJS, Eleno LTF, Petrilli HM. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations [Internet]. Physical Review B. 2018 ; 98( 4): 1-7.[citado 2026 abr. 01 ] Available from: https://doi.org/10.1103/PhysRevB.98.045126 -
Vancouver
Ferreira PP, Santos FB, Machado AJS, Eleno LTF, Petrilli HM. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations [Internet]. Physical Review B. 2018 ; 98( 4): 1-7.[citado 2026 abr. 01 ] Available from: https://doi.org/10.1103/PhysRevB.98.045126 - Noncollinear magnetism of 'MN' nanowires on 'FE'(1 1 0)
- Ab-initio and CVM calculations on the metastable fcc, hcp, and bcc Pb-Bi-Po and Pb-Bi-Te ternary systems
- Cálculos AB initio e modelamento termodinâmico no sistema Nb-Ni-Si
- Cálculos AB initio e modelamento termodinâmico no sistema Nb-Ni-Si
- Influence of the Exchange-Correlation Functional on the Energy of Formation and Magnetic Behavior of Binary D03 Intermetallic Compounds FeM3 (M = Ti, Zr, Hf)
- Fundamental investigation of the metastable b.c.c. phase equilibra in system Fe-Al-Ti
- Computational determination of the Pb-Bi phase diagram
- Ordering phase relationships in ternary iron aluminides
- Magnetism and stability interplay: Correlations in simple BCC-based Fe intermetallic compounds
- Evidence for multiband superconductivity and charge density waves in Ni-doped ZrTe2
Informações sobre a disponibilidade de versões do artigo em acesso aberto coletadas automaticamente via oaDOI API (Unpaywall).
Por se tratar de integração com serviço externo, podem existir diferentes versões do trabalho (como preprints ou postprints), que podem diferir da versão publicada.
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 |
PhysRevB.98.045126.pdf | Direct link |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
