Tunable Work Function and Surface Energy in Titanium Nitride (TiN) Thin Films through Quantum Well States

被引：0

作者：

Huang, Angus ^{[1
,2
,3
]}

Teh, Yee-Heng ^{[1
]}

Chen, Chin-Hsuan ^{[1
]}

Hung, Sheng-Hsiung ^{[1
]}

Wang, Jer-Fu ^{[4
]}

Chuu, Chih-Piao ^{[4
]}

Jeng, Horng-Tay ^{[1
,2
,5
,6
,7
]}

机构：

[1] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan

[2] Natl Ctr Theoret Sci, Phys Div, Taipei 10617, Taiwan

[3] Natl Tsing Hua Univ, Ctr Theory & Computat, Hsinchu 30013, Taiwan

[4] Taiwan Semicond Mfg Co Ltd, Corp Res, Hsinchu 30091, Taiwan

[5] Natl Tsing Hua Univ, Coll Semicond Res, Hsinchu 30013, Taiwan

[6] Acad Sinica, Inst Biol Chem, Taipei 11529, Taiwan

[7] Chung Yuan Christian Univ, Res Ctr Semicond Mat & Adv Opt, Taoyuan 332031, Taiwan

来源：

ACS MATERIALS AU | 2025年 / 5卷 / 02期

关键词：

semiconductor; TiN; workfunction; first-principles; quantum well state; GATE; SUPERCONDUCTIVITY; PERFORMANCE; PSEUDOPOTENTIALS; ELECTRODE; DYNAMICS; TIN(001); SCHEMES; BULK; AL;

D O I：

10.1021/acsmaterialsau.4c00176

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

High work function metals are crucial in various semiconductor applications. Titanium nitride (TiN) is particularly noteworthy as a high work function material in metal gate structures, which significantly enhances the transistor performance and reliability in advanced semiconductor devices. In this study, we employ first-principles calculations to demonstrate that the TiN work function oscillates with thickness due to the quantum well state effect. Furthermore, we investigate the termination and surface dependence of the work function across different crystallographic orientations. We show that the work function can be enhanced to up to 8.04 eV for TiN(111) with N-termination at five monolayers (5 MLs). Our findings provide valuable insights for fine-tuning the high work function of TiN.

引用

页码：430 / 437

页数：8

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