The current book is successful in expanding a grand quantum quasiparticle framework though delicate first-principles calculations and analyses of the chemical modifications of mainstream materials. The strong partnerships between phenomenological models and experimental observations are established in detail. All significant orbitals from the outermost (s, px, py, pz), five types of 3d/4d/5d/6d and seven types of 4f/5f are thoroughly identified to dominate the multi-/ single-orbital hybridizations and ferromagnetic/antiferromagnetic spin configurations under chemical adsorptions, intercalations, substitutions, decorations, and heterojunctions. The concise pictures of physics and chemistry directly reflect the featured quasi-particle properties: the position-dependent crystal symmetries, the atomand spin-dominated band structures, the spatial charge/spin-density distributions, the atom- and spin-decomposed magnetic moments, the atom-, orbital-, and spin-decomposed densities of states, and the prominent absorption peaks associated with the photon–orbital couplings.
Số tạp chí In: Thai-Nghe, N., Do, TN., Haddawy, P. (eds) Intelligent Systems and Data Science. ISDS 2023. Communications in Computer and Information Science, vol 1950. Springer, Singapore.(2023) Trang: 304-312
Tạp chí khoa học Trường Đại học Cần Thơ
Lầu 4, Nhà Điều Hành, Khu II, đường 3/2, P. Xuân Khánh, Q. Ninh Kiều, TP. Cần Thơ
Điện thoại: (0292) 3 872 157; Email: tapchidhct@ctu.edu.vn
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