4 papers
Structural and Vibrational Properties of DSe from First Principles: Anharmonic Quantum and Isotope Effects
Wenjie Ma, Yao Ma, Mi Pan +2
Hydrogen-rich superconductors have garnered considerable interest following the discovery of hot superconductivity in high pressure HS, reviving prospects for room temperature…
Quantum Anharmonic Effects on the Superconductivity of I-43m CH4-H3S at High Pressures: a First-Principles Study
Pugeng Hou, Francesco Belli, Tiange Bi +2
Making use of first-principles calculations we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of I-43m CH…
H3Se in the Im-3m Phase: A High-Pressure Superconductor with Tc Reaching 200 K at 64 GPa Mediated by Anharmonic Phonons
Yao Ma, Mingqi Li, Wenjia Shi +3
Hydrogen-based compounds have attracted significant attention in recent years due to the discovery of conventional superconductivity with high critical temperature under high press…
Significant Impact of Quantum and Anharmonic Effects on the Structural Stability and Superconductivity of NbH3 at High Pressures
Pugeng Hou, Yao Ma, Hui Xie +5
First-principles calculations combined with the stochastic self-consistent harmonic approximation reveal significant effects of the quantum ionic fluctuations and lattice anharmoni…