output
19942026
most citedCALYPSO: a method for crystal structure prediction

2.9k citations

Showing 2025 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2025

Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions

Baiqiang Liu, Chenxi Wan, Rui Liu +3

Improving hydrogen storage density is essential for reducing the extreme conditions required in applications such as nuclear fusion. However, the recognition of metallic hydrogen a…

cond-mat.mtrl-sci2025★ 1 cited

Domain-Wall Mediated Polarization Switching in Ferroelectric AlScN: Strain Relief and Field-Dependent Dynamics

Xiangyu Zheng, Charles Paillard, Dawei Wang +4

While scandium-doped aluminum nitride (AlScN) exhibits robust ferroelectricity and excellent thermal stability, its utility is limited by an exceptionally high coercive field ($E_c…

cond-mat.mtrl-sci2025★ 1 cited

Coulombic control of charge transfer in luminescent radicals with long-lived quartet states

Lujo Matasovic, Petri Murto, Shilong Yu +13

Excitons in organic materials are emerging as an attractive platform for tunable quantum technologies. Structures with near-degenerate doublet and triplet excitations in linked tri…

cond-mat.mtrl-sci2025★ 4 cited

Electric Field Control of Spin Orbit Coupling and Circular Photogalvanic Effect in a True Ferrielectric Crystal

Yunlin Lei, Xinyu Yang, Shouyu Wang +12

Materials possessing long range ordering of magnetic spins or electric dipoles have been the focus of condensed matter research. Among them, ferri-systems with two sublattices of u…

cond-mat.mtrl-sci2025★ 3 cited

Zeeman-type spin splittings in strained d-wave altermagnets

Yahui Zhai, Longju Yu, Jian Lv +2

Recently, altermagnetic materials have become rather attractive because such materials showcase combined advantages of ferromagnets (e.g., spin current) and antiferromagnets (e.g.,…

cond-mat.mtrl-sci2025

Theoretical Study on MR-TADF Materials Based on CzBN

Jinpu Bai, Jingfu Guo, Aynur Matyusup +2

Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials have garnered significant research interest owing to their remarkably narrow emission spectra with full…