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Suci Faniandari
Universitas Diponegoro
Astronomy Earth & Planetary Sciences Education Energy Materials Science & Nanotechnology Medicine & Pharmacology Physics

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Electronic Properties of Topological Superconductors XC (X = V, Nb) with Hexagonal Structure: A Density Functional Theory Perspective Erik Bhekti Yutomo; Suci Faniandari; Oki Ade Putra
BULETIN FISIKA Vol. 26 No. 2 (2025): BULETIN FISIKA
Publisher : Departement of Physics Faculty of Mathematics and Natural Sciences, and Institute of Research and Community Services Udayana University, Kampus Bukit Jimbaran Badung Bali

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/BF.2025.v26.i02.p08

Abstract

Topological superconductors are a class of materials that combine superconductivity with nontrivial topological electronic band structures. In this study, we investigate the electronic properties of two transition metal carbides, VC and NbC, in their hexagonal phases. The calculations are performed using the Density Functional Theory (DFT) approach, with explicit consideration of spin–orbit coupling (SOC) to explore the possible emergence of nontrivial band topology. The calculated band structures reveal metallic behavior in both materials, characterized by the presence of electronic states at the Fermi level. VC exhibits two Dirac points along the Γ–M and K–Γ paths, as well as a Weyl point at the K point. In contrast, NbC shows two Dirac points and one triply degenerate point along the Γ–A path. Upon inclusion of SOC, these topological features not only persist but become more pronounced, particularly near the K point and along the Γ–A direction. The projected density of states (PDOS) analysis indicates that these topological features originate from strong hybridization between the transition metal d orbitals (V 3d and Nb 4d) and the carbon 2p orbitals. These results suggest that hexagonal-phase VC and NbC are promising candidates for topological superconductors, with potential applications in future quantum technologies.
Vibrational Mean Energy and Specific Heat Capacity of Nitric Oxide, Nickel Monocarbide, and Scandium Nitride Diatomic Molecule with Screened Modified Pöschl-Teller Potential Suci Faniandari; Erik Bhekti Yutomo; Oki Ade Putra
Jurnal Fisika Flux: Jurnal Ilmiah Fisika FMIPA Universitas Lambung Mangkurat Vol 22, No 2 (2025): Jurnal Fisika Flux: Jurnal Ilmiah Fisika FMIPA Universitas Lambung Mangkurat
Publisher : Lambung Mangkurat University Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/flux.v22i2.22084

Abstract

This study explored the energy states of a nonrelativistic system by applying the Schrödinger equation to a particular potential. Specifically, energy levels were examined using a modified Pöschl–Teller potential. This study analyzed the impact of varying quantum numbers on energy levels and investigated the vibrational mean energy and specific heat capacity of diatomic molecules. The focus was on nitric oxide, nickel monocarbide, and scandium nitride molecules to assess their behavior at different temperatures. When the screening parameter is present, the potential becomes weaker and less confining, leading to a lower energy eigenvalue compared to when there is no screening and the potential is deeper or more confining. A screened potential results in a particle having a reduced kinetic energy because it is less confined and less tightly bound to the well. An increase in quantum number leads to a decrease in the energy level of the system. The vibrational mean energy increased at high temperatures and then steadily decreased. The vibrational specific heat capacity decreased to a negative value as the temperature decreased, indicating that the system converted kinetic energy into potential energy within the bonds. These findings offer insights into molecular stability and thermodynamic behavior, which could be beneficial for predicting and managing molecules in high-temperature environments.
Co-Authors Erik Bhekti Yutomo Erik Bhekti Yutomo Oki Ade Putra Oki Ade Putra