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Density-functional and tight-binding theory of silicene and silicane

Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

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Density-functional and tight-binding theory of silicene and silicane. / Zolyomi, Viktor; Drummond, Neil David; Wallbank, John et al.
Silicene: Prediction, Synthesis, Application. ed. / Patrick Vogt; Guy Le Lay. Cham: Springer, 2018. p. 23-41 (NanoScience and Technology).

Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

Harvard

Zolyomi, V, Drummond, ND, Wallbank, J & Falko, V 2018, Density-functional and tight-binding theory of silicene and silicane. in P Vogt & G Le Lay (eds), Silicene: Prediction, Synthesis, Application. NanoScience and Technology, Springer, Cham, pp. 23-41. https://doi.org/10.1007/978-3-319-99964-7_2

APA

Zolyomi, V., Drummond, N. D., Wallbank, J., & Falko, V. (2018). Density-functional and tight-binding theory of silicene and silicane. In P. Vogt, & G. Le Lay (Eds.), Silicene: Prediction, Synthesis, Application (pp. 23-41). (NanoScience and Technology). Springer. https://doi.org/10.1007/978-3-319-99964-7_2

Vancouver

Zolyomi V, Drummond ND, Wallbank J, Falko V. Density-functional and tight-binding theory of silicene and silicane. In Vogt P, Le Lay G, editors, Silicene: Prediction, Synthesis, Application. Cham: Springer. 2018. p. 23-41. (NanoScience and Technology). Epub 2018 Nov 3. doi: 10.1007/978-3-319-99964-7_2

Author

Zolyomi, Viktor ; Drummond, Neil David ; Wallbank, John et al. / Density-functional and tight-binding theory of silicene and silicane. Silicene: Prediction, Synthesis, Application. editor / Patrick Vogt ; Guy Le Lay. Cham : Springer, 2018. pp. 23-41 (NanoScience and Technology).

Bibtex

@inbook{b4d49931a2e0462da61cd7214ffcc897,
title = "Density-functional and tight-binding theory of silicene and silicane",
abstract = "A combination of density functional theory and a tight-binding model offers a robust means to describe the structure, vibrations, and electronic states of silicene. In this chapter we give an overview of the electronic structure and phonon dispersions of silicene and its fully hydrogenated derivative, silicane. We discuss the dynamical stability of the buckled silicene and silicane lattices and we present their phonon dispersions. We discuss the first-principles electronic band structure of ideal, free-standing silicene, paying particular attention to the small band gap opened by spin–orbit coupling, which renders the material a topological insulator. We look at the tight-binding description of silicene and examine the effects of an external electric field which, above a critical electric field, counters the spin–orbit gap and triggers a phase transition into a band-insulator state in which the band gap is linearly tunable by the electric field. We also present the tight-binding description of silicane which, parameterised by density functional theory, sheds light on the importance of long-range hopping in this material.",
author = "Viktor Zolyomi and Drummond, {Neil David} and John Wallbank and Vladimir Falko",
note = "The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-99964-7_2",
year = "2018",
doi = "10.1007/978-3-319-99964-7_2",
language = "English",
isbn = "9783319999623",
series = "NanoScience and Technology",
publisher = "Springer",
pages = "23--41",
editor = "Patrick Vogt and {Le Lay}, Guy",
booktitle = "Silicene",

}

RIS

TY - CHAP

T1 - Density-functional and tight-binding theory of silicene and silicane

AU - Zolyomi, Viktor

AU - Drummond, Neil David

AU - Wallbank, John

AU - Falko, Vladimir

N1 - The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-99964-7_2

PY - 2018

Y1 - 2018

N2 - A combination of density functional theory and a tight-binding model offers a robust means to describe the structure, vibrations, and electronic states of silicene. In this chapter we give an overview of the electronic structure and phonon dispersions of silicene and its fully hydrogenated derivative, silicane. We discuss the dynamical stability of the buckled silicene and silicane lattices and we present their phonon dispersions. We discuss the first-principles electronic band structure of ideal, free-standing silicene, paying particular attention to the small band gap opened by spin–orbit coupling, which renders the material a topological insulator. We look at the tight-binding description of silicene and examine the effects of an external electric field which, above a critical electric field, counters the spin–orbit gap and triggers a phase transition into a band-insulator state in which the band gap is linearly tunable by the electric field. We also present the tight-binding description of silicane which, parameterised by density functional theory, sheds light on the importance of long-range hopping in this material.

AB - A combination of density functional theory and a tight-binding model offers a robust means to describe the structure, vibrations, and electronic states of silicene. In this chapter we give an overview of the electronic structure and phonon dispersions of silicene and its fully hydrogenated derivative, silicane. We discuss the dynamical stability of the buckled silicene and silicane lattices and we present their phonon dispersions. We discuss the first-principles electronic band structure of ideal, free-standing silicene, paying particular attention to the small band gap opened by spin–orbit coupling, which renders the material a topological insulator. We look at the tight-binding description of silicene and examine the effects of an external electric field which, above a critical electric field, counters the spin–orbit gap and triggers a phase transition into a band-insulator state in which the band gap is linearly tunable by the electric field. We also present the tight-binding description of silicane which, parameterised by density functional theory, sheds light on the importance of long-range hopping in this material.

U2 - 10.1007/978-3-319-99964-7_2

DO - 10.1007/978-3-319-99964-7_2

M3 - Chapter

SN - 9783319999623

T3 - NanoScience and Technology

SP - 23

EP - 41

BT - Silicene

A2 - Vogt, Patrick

A2 - Le Lay, Guy

PB - Springer

CY - Cham

ER -