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题名/责任者:

Diverse quasiparticle properties of emerging materials : first-principles simulations / edited by Tran Thi Thu Hanh, Vo Khuong Dien, Ngoc Thanh Thuy Tran, Ching-Hong Ho, Thi Dieu Hien Nguyen, Ming-Fa Lin.

出版发行项:

Boca Raton : CRC Press, Taylor & Francis Group, 2023.

ISBN:

9781032323053

ISBN:

1032323051

ISBN:

9781032345192

ISBN:

1032345195

载体形态项:

xviii, 413 pages : illustrations (some color) ; 24 cm

附加个人名称:

Hanh, Tran Thi Thu, editor.

附加个人名称:

Dien, Vo Khuong, editor.

附加个人名称:

Tran, Ngoc Thanh Thuy, editor.

附加个人名称:

Ho, Ching-Hong, editor.

附加个人名称:

Nguyen, Thi Dieu Hien, editor.

附加个人名称:

Lin, Ming-Fa, editor.

论题主题:

Quasiparticles (Physics)

论题主题:

Materials-Electric properties.

论题主题:

Materials-Optical properties.

中图法分类号:

O572.3

书目附注:

Includes bibliographical references and index.

内容附注:

The theoretical frameworks -- Experimental measurements -- Electronic and transport properties of the sawtooth-sawtooth penta-graphene nanoribbons -- Feature-rich quasiparticle properties of halogen-adsorbed silicene nanoribbons -- Essential properties of metals/transition metals-adsorbed graphene nanoribbons -- Essential electronic properties of zigzag carbon and silicon nanotubes -- Electronic and optical properties of boron/carbon and nitrogen substituted silicene systems : a DFT study -- Hydrogen adsorption on two dimensional germanene and its structural defects : ab initio investigation -- Adatom-enriched essential quasiparticle properties of germanene : a DFT study -- Excitonic and spin-orbit coupling effects on optical properties of plumbene adsorption hydrogen -- Diverse phenomena in stage-2/3/4 in AlCl4/Al2Cl7 graphite intercalation compounds of aluminumion-based battery cathodes -- Geometric and electronic properties of LiFeO2 -- Stacking-enriched quasiparticle properties of bilayer HfX2 (X = S, Se, or Te) -- Geometric and electronic properties of ternary compound Li4Ti5O12 -- Zero-point vibration of the adsorbed hydrogen on the Pt(110) surface -- Magnetotransport properties of bismuth chalcogenide topological insulators -- Applications -- Concluding remarks -- Future challenges -- Problems.

摘要附注:

"Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations thoroughly explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. The book illustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurations. It considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators, and many others. The book also includes a section on applications of these materials. The text is aimed at professionals in materials science, physics, physical chemistry, and upper level students in these fields"--

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