Computational electron–phonon superconductivity: from theoretical physics to material science

S Chen, F Zheng, Z Zhang, S Wu, KM Ho… - Journal of Physics …, 2024 - iopscience.iop.org
The search for room-temperature superconductors is a major challenge in modern physics.
The discovery of copper-oxide superconductors in 1986 brought hope but also revealed …

Synergistically optimizing electrical and thermal transport in layered BiCuSeO via biaxial strain modulation

B Wei, W Li, Y Yang, J Li, Y Zheng, W Zhang, Z Zhou… - Acta Materialia, 2025 - Elsevier
Decoupling electrical and thermal parameters in figure of merit (zT) is still a major challenge
for thermoelectric materials. Layered oxyselenides have the advantages of superlattice …

Non-Fermi liquid to charge-transfer Mott insulator in flat bands of copper-doped lead apatite

SW Kim, K Haule, GL Pascut, B Monserrat - Materials Horizons, 2024 - pubs.rsc.org
Copper-doped lead apatite, called LK-99, was initially claimed to be a room temperature
superconductor driven by flat electron bands, but was later found to be a wide gap insulator …

Magnetostructural Correlations in a Layered Perovskite: K2CuF4 at Large Compression

SB Pillai, D Upadhyay, J Drapała, Z Mazej… - The Journal of …, 2024 - ACS Publications
Through a combination of Raman spectroscopy and synchrotron powder X-ray diffraction
measurements supplemented with Density Functional Theory calculations, we unravel the …

High-temperature superconductivity of ternary clathrates at moderate pressure

P Chen, Z Wu, Y Sun, TY Lü, X Cao, Z Zhu, S Wu - Physical Review B, 2024 - APS
The synthesis of Sr B 3 C 3 and the research on its analogs demonstrate the high-
temperature superconductivity of ternary metal-boron-carbon clathrates at ambient or …

Site preference and local structural stability of Bi (iii) substitution in hydroxyapatite using first-principles simulations

GM Quindoza, Y Nakagawa, HL Mizuno… - Physical Chemistry …, 2024 - pubs.rsc.org
Bismuth (Bi (III)) substitution in hydroxyapatite (HAp) lattice confers unique properties such
as antibacterial, catalytic, radiosensitization, and conductive properties while preserving the …

Electronic structure and vibrational stability of copper-substituted lead apatite LK-99

J Cabezas-Escares, NF Barrera, RH Lavroff… - Physical Review B, 2024 - APS
Two recent preprints [Lee, arxiv: 2307.12008 and Lee, arxiv: 2307.12037] have received
attention because they claim experimental evidence that a Cu-substituted apatite material …

Electron correlations and unconventional superconductivity in realistic solid-state materials and heterostructures

N Witt - 2024 - ediss.sub.uni-hamburg.de
The interplay of electron correlations and unconventional superconductivity is a pivotal area
of condensed matter research, driven by the discovery of novel superconducting materials …