Identification of two-dimensional layered dielectrics from first principles

AbstractTo realize effective van der Waals (vdW) transistors, vdW dielectrics are needed in addition to vdW channel materials. We study the dielectric properties of 32 exfoliable vdW materials using first principles methods. We calculate the static and optical dielectric constants and discover a large out-of-plane permittivity in GeClF, PbClF, LaOBr, and LaOCl, while the in-plane permittivity is high in BiOCl, PbClF, and TlF. To assess their potential as gate dielectrics, we calculate the band gap and electron affinity, and estimate the leakage current through the candidate dielectrics. We discover six monolayer dielectrics that promise to outperform bulk HfO2: HoOI, LaOBr, LaOCl, LaOI, SrI2, and YOBr with low leakage current and low equivalent oxide thickness. Of these, LaOBr and LaOCl are the most promising and our findings motivate the growth and exfoliation of rare-earth oxyhalides for their use as vdW dielectrics.

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Identification of Two-Dimensional Layered Dielectrics from First Principles

10.21203/rs.3.rs-152905/v1 ◽

2021 ◽

Author(s):

Mehrdad Rostami Osanloo ◽

Maarten Van de Put ◽

Ali Saadat ◽

William Vandenberghe

Keyword(s):

First Principles ◽

Dielectric Response ◽

Gate Dielectrics ◽

Oxide Thickness ◽

Two Dimensional ◽

Leakage Currents ◽

Transistor Channel ◽

Out Of Plane ◽

Layered Dielectrics ◽

Optical Dielectric

Abstract Two-dimensional (2D) van der Waals (vdW) materials promise ideal electrostatic control of charge carrier flow in a channel free of surface roughness or defects. To realize this ideal, good vdW dielectrics are needed in addition to the well explored channel materials. We study the dielectric properties of 32 easily exfoliable vdW materials using first principles methods. Specifically, we calculate the static and optical dielectric response of the monolayer and bulk form. In monolayers, we discover a strong out-of-plane response in GeClF (10.99), LaOBr (13.20), LaOCl (55.80) and PbClF (15.17), while the in-plane dielectric response is strong in BiOCl, PbClF, and TlF, ranging from 64.86 to 98.37. To assess their potential as gate dielectrics, we calculate the bandgap and electron affinity, and estimate the leakage current through the dielectric. We discover seven monolayer 2D dielectrics that promise to outperform bulk HfO2: LaOBr, LaOCl, CaHI, SrBrF, SrHBr, SrHI, and TlF with lower leakage currents at a significantly reduced equivalent oxide thickness. Of these, LaOBr and LaOCl are the most promising and our findings motivate the growth and exfoliation of rare-earth oxyhalides for their use as vdW dielectrics on vdW transistor channel materials.

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Thin effective oxide thickness (∼0.5 nm) and low leakage current gate dielectric for Ge MOS devices by plasma nitrided Al2O3 intermediate layer

2015 International Symposium on VLSI Technology, Systems and Applications ◽

10.1109/vlsi-tsa.2015.7117579 ◽

2015 ◽

Author(s):

Yi-Gin Yang ◽

Bing-Yue Tsui

Keyword(s):

Leakage Current ◽

Intermediate Layer ◽

Gate Dielectric ◽

Oxide Thickness ◽

Low Leakage ◽

Mos Devices ◽

Low Leakage Current

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First-principles study of the electronic structure of Pb(ZrTiNb)O3 (PZTN) systems

MRS Proceedings ◽

10.1557/proc-784-c3.12 ◽

2003 ◽

Vol 784 ◽

Author(s):

Hiromu Miyazawa ◽

Takamitsu Higuchi ◽

Taku Aoyama ◽

Takeshi Kijima ◽

Eiji Natori ◽

...

Keyword(s):

Electronic Structure ◽

Oxygen Vacancy ◽

Leakage Current ◽

First Principles ◽

Nearest Neighbor ◽

High Reliability ◽

Orbital Energy ◽

Low Leakage ◽

Bandgap Narrowing ◽

Low Leakage Current

ABSTRACTUsing first principles calculations, we have investigated the electronic structure of Pb(ZrTiNb)O3 (PZTN), a system with a low leakage current and high reliability in thin films. We proposed that in PZTN, the oxygen vacancy is suppressed due to the addition of a Nb atom at the B site and that this change prevents a bandgap narrowing which would enhance the leakage current. The oxygen vacancy in the perovskite structure reduces the bandgap because it lowers the d orbital energy of the nearest-neighbor transition metal through the Madelung potential; this bandgap narrowing induces the leakage current in conventional Pb(ZrTi)O3 (PZT) systems with the Shottky type Pb-O deficit. In contrast, the PZTN systems, which also have the Pb deficit but lack the oxygen vacancy, can maintain the bandgap, and attain a low leakage current.

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High- gate dielectrics with ultra-low leakage current for sub-45 nm CMOS

Electronics Letters ◽

10.1049/el:20072178 ◽

2007 ◽

Vol 43 (21) ◽

pp. 1130 ◽

Cited By ~ 4

Author(s):

A. Venkateshan ◽

R. Singh ◽

K.F. Poole ◽

J. Harriss ◽

H. Senter ◽

...

Keyword(s):

Leakage Current ◽

Gate Dielectrics ◽

Low Leakage ◽

Low Leakage Current

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Low Leakage Current Patterned Polymeric Transistors with PAG Assisted Cross-linking PVP as Gate Dielectric and Passivation Layers

MRS Proceedings ◽

10.1557/proc-1091-aa07-92 ◽

2008 ◽

Vol 1091 ◽

Author(s):

Cheng-Chin Liu ◽

Kuo-Jui Chang ◽

Feng-Yu Yang ◽

Ta-Chuan Liao ◽

Huang-Chung Cheng

Keyword(s):

Low Temperature ◽

Leakage Current ◽

Gate Dielectric ◽

Gate Dielectrics ◽

Thin Film Transistor ◽

Subthreshold Swing ◽

Low Leakage ◽

Low Leakage Current ◽

Passivation Layers ◽

Amorphous Si

AbstractWe have successfully proposed a patterned P3HT thin-film transistor with cross-linked PVP as a passivation material which was cured at low temperature. The active P3HT layer was isolated via photolithographic technique and O2 plasma RIE etching process. In this method, the leakage current could be reduced effectively compared with that of non-patterned device. Although the mobility was degraded 40 %, but the on/off ratio was significantly improved by over three orders and also the subthreshold swing was compatible with the amorphous Si-TFTs (∼1.5 V/decade). Moreover, we also employed this low temperature curing PVP (120 0C) films as the gate dielectrics which exhibited excellent insulating property with high on/off ratio 1.58×104 and good subthreshold swing 1.66 V/decade.

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High-k gate dielectrics with ultra-low leakage current based on praseodymium oxide

International Electron Devices Meeting 2000. Technical Digest. IEDM (Cat. No.00CH37138) ◽

10.1109/iedm.2000.904404 ◽

2002 ◽

Cited By ~ 20

Author(s):

H.J. Osten ◽

J.P. Liu ◽

P. Gaworzewski ◽

E. Bugiel ◽

P. Zaumseil

Keyword(s):

Leakage Current ◽

Gate Dielectrics ◽

Praseodymium Oxide ◽

Low Leakage ◽

Low Leakage Current ◽

High K

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Low leakage current gate dielectrics prepared by ion beam assisted deposition for organic thin film transistors

Journal of Applied Physics ◽

10.1063/1.2821697 ◽

2007 ◽

Vol 102 (12) ◽

pp. 126101 ◽

Cited By ~ 2

Author(s):

Chang Su Kim ◽

Sung Jin Jo ◽

Jong Bok Kim ◽

Seung Yoon Ryu ◽

Joo Hyon Noh ◽

...

Keyword(s):

Thin Film ◽

Leakage Current ◽

Thin Film Transistors ◽

Gate Dielectrics ◽

Ion Beam ◽

Organic Thin Film Transistors ◽

Organic Thin Film ◽

Low Leakage ◽

Ion Beam Assisted Deposition ◽

Low Leakage Current

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High nonlinearity and low leakage current SnO2 varistor ceramics by co-doping with yttrium and tantalum

Materials Letters ◽

10.1016/j.matlet.2020.129120 ◽

2021 ◽

Vol 285 ◽

pp. 129120

Author(s):

Wenxin Liang ◽

Hongfeng Zhao ◽

Xiaoji Meng ◽

Shaohua Fan ◽

Qingyun Xie

Keyword(s):

Leakage Current ◽

Co Doping ◽

High Nonlinearity ◽

Low Leakage ◽

Low Leakage Current

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Development of high k/III-V (InGaAs, InAs, InSb) structures for future low power, high speed device applications

MRS Proceedings ◽

10.1557/opl.2013.585 ◽

2013 ◽

Vol 1538 ◽

pp. 291-302

Author(s):

Edward Yi Chang ◽

Hai-Dang Trinh ◽

Yueh-Chin Lin ◽

Hiroshi Iwai ◽

Yen-Ku Lin

Keyword(s):

Low Power ◽

Leakage Current ◽

High Speed ◽

High Performance ◽

Gate Oxide ◽

Chemical Cleaning ◽

Low Leakage ◽

Low Leakage Current ◽

High K ◽

Cleaning Methods

ABSTRACTIII-V compounds such as InGaAs, InAs, InSb have great potential for future low power high speed devices (such as MOSFETs, QWFETs, TFETs and NWFETs) application due to their high carrier mobility and drift velocity. The development of good quality high k gate oxide as well as high k/III-V interfaces is prerequisite to realize high performance working devices. Besides, the downscaling of the gate oxide into sub-nanometer while maintaining appropriate low gate leakage current is also needed. The lack of high quality III-V native oxides has obstructed the development of implementing III-V based devices on Si template. In this presentation, we will discuss our efforts to improve high k/III-V interfaces as well as high k oxide quality by using chemical cleaning methods including chemical solutions, precursors and high temperature gas treatments. The electrical properties of high k/InSb, InGaAs, InSb structures and their dependence on the thermal processes are also discussed. Finally, we will present the downscaling of the gate oxide into sub-nanometer scale while maintaining low leakage current and a good high k/III-V interface quality.

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