Charge balance effect on the phase stability and reliability in doped HfO2-ZrO2 superlattice films for further DRAM capacitors: A first-principles study

T Ting Zhang M Maokun Wu (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) M Miaojia Yuan (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) Y Yichen Wen (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) Y Yilin Hu (Department of Molecular Biology and Biochemistry University of California Irvine California USA) X Xuepei Wang (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) B Boyao Cui (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) J Jinhao Liu Y Yishan Wu (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) H Hong Dong F Feng Lu (Department of Medical Oncology, Dana-Farber Cancer Institute) W Wei-Hua Wang P Pengpeng Ren (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) S Sheng Ye (School of Artificial Intelligence) H Hong-Liang Lu (School of Microelectronics, College of Integrated Circuits and Micro-Nano Electronics, Fudan University 1 , Shanghai 200433, ; , Shanghai 201203, ; , Jiaxing, Zhejiang Province 314100,) R Runsheng Wang Z Zhigang Ji (National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,) R Ru Huang (New Cornerstone Science Laboratory, Beijing Advanced Innovation Center for Integrated Circuits, School of Integrated Circuits, Peking University, Beijing, China.)

Abstract

A dielectric material with a higher permittivity and a lower leakage is required to meet the demands of three-dimensional (3D) dynamic random access memory (DRAM). Current morphotropic phase boundary (MPB) behavior exhibits a higher permittivity but relatively high leakage. In this work, we propose a feasible approach to achieve MPB and low leakage by the charge balance effect in the doped HfO2-ZrO2 superlattice system. Our first-principles calculations reveal that the synergy effect of doping and oxygen vacancies can achieve lower phase transition barriers between polar and nonpolar phases, suggesting the formation of more MPB regions. Especially for Y dopant, it is more preferred due to the smallest transition barrier. Additionally, defect states arising from oxygen vacancies can be passivized at the charge balance state to enable large bandgap, suppressing leakage currents. This work provides a potential solution for a dielectric material with a higher permittivity and a lower leakage, paving the way for future 3D DRAM capacitors.

Article Details

Volume / Issue Vol. 126, Issue 10
Published March 01, 2025
ISSN 0003-6951
Publisher American Institute of Physics

Journal Info

Applied Physics Letters

American Institute of Physics

ISSN: 0003-6951 Physical Sciences

Authors (18)

T

Ting Zhang

M

Maokun Wu

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

M

Miaojia Yuan

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

Y

Yichen Wen

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

Y

Yilin Hu

Department of Molecular Biology and Biochemistry University of California Irvine California USA

X

Xuepei Wang

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

B

Boyao Cui

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

J

Jinhao Liu

Y

Yishan Wu

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

H

Hong Dong

F

Feng Lu

Department of Medical Oncology, Dana-Farber Cancer Institute

W

Wei-Hua Wang

P

Pengpeng Ren

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

S

Sheng Ye

School of Artificial Intelligence

H

Hong-Liang Lu

School of Microelectronics, College of Integrated Circuits and Micro-Nano Electronics, Fudan University 1 , Shanghai 200433, ; , Shanghai 201203, ; , Jiaxing, Zhejiang Province 314100,

R

Runsheng Wang

Z

Zhigang Ji

National Key Laboratory of Science and Technology on Micro/Nano Fabrication, Shanghai Jiao Tong University 1 , Shanghai 200240,

R

Ru Huang

New Cornerstone Science Laboratory, Beijing Advanced Innovation Center for Integrated Circuits, School of Integrated Circuits, Peking University, Beijing, China.