Ab Initio Calculation of Li-Sn System: Unraveling New Phases of Superconducting Materials with Increasing Compression

• Main Authors: Thong, Leng Lim (Author), Tiem, Leong Yoon (Author), Yee, Hui Robin Chang (Author), San, Kiong Lai (Author)
• Format: Book
• Published: Penerbit UiTM, 2021-09.
• Subjects: Article; PeerReviewed
• Online Access: Link Metadata

Stoichiometry, crystal compound, electronic attributes and superconductivity of compressed lithium-tin composites have been thoroughly studied using quantum mechanical genetic algorithm approach and the first principles computations based on density functional theory. Our simulations at moderate pre...