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Diverse quasiparticle properties of emerging materials = first-principles simulations /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Diverse quasiparticle properties of emerging materials/ edited by Tran Thi Thu Hanh ... [et al.]
其他題名:	first-principles simulations /
其他作者:	Hanh, Tran Thi Thu.
出版者:	Boca Raton, FL :CRC Press, : 2023.,
面頁冊數:	1 online resource.
標題:	Materials - Optical properties. -
電子資源:	https://www.taylorfrancis.com/books/9781003322573
ISBN:	9781003322573

Diverse quasiparticle properties of emerging materials = first-principles simulations /
Diverse quasiparticle properties of emerging materialsfirst-principles simulations /[electronic resource] :edited by Tran Thi Thu Hanh ... [et al.] - 1st ed. - Boca Raton, FL :CRC Press,2023. - 1 online resource.

Includes bibliographical references and index.

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.

"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"--

ISBN: 9781003322573

LCCN: 2022019488Subjects--Topical Terms:

673144
Materials
--Optical properties.

LC Class. No.: QC793.5.Q32

Dewey Class. No.: 530.4/16

Diverse quasiparticle properties of emerging materials = first-principles simulations /
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505 0 $a 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.
520 $a "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"-- $c Provided by publisher.
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