Unravelling the atomic mechanisms of tetrahedral doping in chalcogenide glass for electrical switching materials

Gu, Rongchuan; Xu, Meng; Liu, Yongpeng; Shen, Yinghua; Qiao, Chong; Wang, Cai-Zhuang; Ho, Kai-Ming; Wang, Songyou; Xu, Ming; Miao, Xiangshui

doi:10.1039/D3TC02984K

Title: Unravelling the atomic mechanisms of tetrahedral doping in chalcogenide glass for electrical switching materials

Journal Article · Thu Nov 16 00:00:00 EST 2023 · Journal of Materials Chemistry C

DOI:https://doi.org/10.1039/D3TC02984K· OSTI ID:2203957

Gu, Rongchuan ^[1];

^[2]; Liu, Yongpeng ^[1]; Shen, Yinghua ^[1]; Qiao, Chong ^[3];

^[4]; Ho, Kai-Ming ^[4];

^[5];

^[1];

^[1]

School of Integrated Circuits, Huazhong University of Science and Technology, Wuhan 430074, China, Hubei Yangtze Memory Laboratories, Wuhan 430205, China
Department of Electrical and Electronic Engineering, the University of Hong Kong, Hong Kong, China
School of Mathematics and Physics, Nanyang Institute of Technology, Nanyang 473004, China
Ames Laboratory, U. S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Shanghai Ultra-Precision Optical Manufacturing Engineering Center and Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China

This study highlights the crucial role of Si doping in OTS materials by revealing the atomic mechanisms of Si doping that result in high thermal stability, enhanced endurance, and reduced V _th drift in a-GeSiSe materials for ovonic threshold switching (OTS) through first-principles calculations.

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Sponsoring Organization:: USDOE

OSTI ID:: 2203957

Journal Information:: Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Vol. 11 Journal Issue: 44; ISSN 2050-7526

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

References (52)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Phase Change Materials and Their Application to Nonvolatile Memories Raoux, Simone; Wełnic, Wojciech; Ielmini, Daniele Chemical Reviews, Vol. 110, Issue 1 https://doi.org/10.1021/cr900040x	journal	August 2009
Ovonic threshold switching selectors for three-dimensional stackable phase-change memory Zhu, Min; Ren, Kun; Song, Zhitang MRS Bulletin, Vol. 44, Issue 09 https://doi.org/10.1557/mrs.2019.206	journal	September 2019
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Designing crystallization in phase-change materials for universal memory and neuro-inspired computing Zhang, Wei; Mazzarello, Riccardo; Wuttig, Matthias Nature Reviews Materials, Vol. 4, Issue 3 https://doi.org/10.1038/s41578-018-0076-x	journal	January 2019
Ab-initio simulations of materials using VASP: Density-functional theory and beyond Hafner, Jürgen Journal of Computational Chemistry, Vol. 29, Issue 13 https://doi.org/10.1002/jcc.21057	journal	October 2008
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory Nelson, Ryky; Ertural, Christina; George, Janine Journal of Computational Chemistry, Vol. 41, Issue 21 https://doi.org/10.1002/jcc.26353	journal	June 2020
Signature of Tetrahedral Ge in the Raman Spectrum of Amorphous Phase-Change Materials Mazzarello, Riccardo; Caravati, Sebastiano; Angioletti-Uberti, Stefano Physical Review Letters, Vol. 104, Issue 8 https://doi.org/10.1103/PhysRevLett.104.085503	journal	February 2010
Nanosecond threshold switching of GeTe ₆ cells and their potential as selector devices Anbarasu, M.; Wimmer, Martin; Bruns, Gunnar Applied Physics Letters, Vol. 100, Issue 14 https://doi.org/10.1063/1.3700743	journal	April 2012
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials Li, Kaiqi; Liu, Bin; Zhou, Jian Acta Materialia, Vol. 249 https://doi.org/10.1016/j.actamat.2023.118809	journal	May 2023
Threshold switching in chalcogenide‐glass thin films Adler, D.; Shur, M. S.; Silver, M. Journal of Applied Physics, Vol. 51, Issue 6 https://doi.org/10.1063/1.328036	journal	June 1980
Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems Le Roux, Sébastien; Jund, Philippe Computational Materials Science, Vol. 49, Issue 1 https://doi.org/10.1016/j.commatsci.2010.04.023	journal	June 2010
Screening Switching Materials with Low Leakage Current and High Thermal Stability for Neuromorphic Computing Wu, Renjie; Jia, Shujing; Gotoh, Tamihiro Advanced Electronic Materials, Vol. 8, Issue 9 https://doi.org/10.1002/aelm.202200150	journal	April 2022
Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5 Konstantinou, Konstantinos; Mocanu, Felix C.; Lee, Tae-Hoon Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10980-w	journal	July 2019
Formation of Large Voids in the Amorphous Phase-Change Memory ${Ge}_{2} {Sb}_{2} {Te}_{5}$ Alloy Sun, Zhimei; Zhou, Jian; Blomqvist, Andreas Physical Review Letters, Vol. 102, Issue 7 https://doi.org/10.1103/PhysRevLett.102.075504	journal	February 2009
Evidence for trap-limited transport in the subthreshold conduction regime of chalcogenide glasses Ielmini, Daniele; Zhang, Yuegang Applied Physics Letters, Vol. 90, Issue 19 https://doi.org/10.1063/1.2737137	journal	May 2007
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations Dronskowski, Richard; Bloechl, Peter E. The Journal of Physical Chemistry, Vol. 97, Issue 33 https://doi.org/10.1021/j100135a014	journal	August 1993
Deep machine learning unravels the structural origin of mid‐gap states in chalcogenide glass for high‐density memory integration Xu, Meng; Xu, Ming; Miao, Xiangshui InfoMat, Vol. 4, Issue 6 https://doi.org/10.1002/inf2.12315	journal	April 2022
Theory of electrical instabilities of mixed electronic and thermal origin Kroll, D. M. Physical Review B, Vol. 9, Issue 4 https://doi.org/10.1103/PhysRevB.9.1669	journal	February 1974
Performance Improvement of GeTe_x-Based Ovonic Threshold Switching Selector by C Doping Wang, Lun; Cai, Wang; He, Da IEEE Electron Device Letters, Vol. 42, Issue 5 https://doi.org/10.1109/LED.2021.3064857	journal	May 2021
Valence-Alternation Model for Localized Gap States in Lone-Pair Semiconductors Kastner, Marc; Adler, David; Fritzsche, H. Physical Review Letters, Vol. 37, Issue 22 https://doi.org/10.1103/PhysRevLett.37.1504	journal	November 1976
Physics of the Switching Kinetics in Resistive Memories Menzel, Stephan; Böttger, Ulrich; Wimmer, Martin Advanced Functional Materials, Vol. 25, Issue 40 https://doi.org/10.1002/adfm.201500825	journal	June 2015
Relationship between structural order and the anomalies of liquid water Errington, Jeffrey R.; Debenedetti, Pablo G. Nature, Vol. 409, Issue 6818 https://doi.org/10.1038/35053024	journal	January 2001
How arsenic makes amorphous GeSe a robust chalcogenide glass for advanced memory integration Gu, Rongchuan; Xu, Meng; Qiao, Chong Scripta Materialia, Vol. 218 https://doi.org/10.1016/j.scriptamat.2022.114834	journal	September 2022
Cycling Induced Metastable Degradation in GeSe Ovonic Threshold Switching Selector Chai, Zheng; Zhang, Weidong; Clima, Sergiu IEEE Electron Device Letters, Vol. 42, Issue 10 https://doi.org/10.1109/LED.2021.3109582	journal	October 2021
How to Identify Lone Pairs, Van der Waals Gaps, and Metavalent Bonding Using Charge and Pair Density Methods: From Elemental Chalcogens to Lead Chalcogenides and Phase‐Change Materials Raty, Jean-Yves; Gatti, Carlo; Schön, Carl-Friedrich physica status solidi (RRL) – Rapid Research Letters, Vol. 15, Issue 11 https://doi.org/10.1002/pssr.202000534	journal	September 2021
Ab Initio Computer Simulation of the Early Stages of Crystallization: Application to ${Ge}_{2} {Sb}_{2} {Te}_{5}$ Phase-Change Materials Lee, T. H.; Elliott, S. R. Physical Review Letters, Vol. 107, Issue 14 https://doi.org/10.1103/PhysRevLett.107.145702	journal	September 2011
Field-induced nucleation in phase change memory Karpov, V. G.; Kryukov, Y. A.; Karpov, I. V. Physical Review B, Vol. 78, Issue 5 https://doi.org/10.1103/PhysRevB.78.052201	journal	August 2008
Recent Advances on Neuromorphic Devices Based on Chalcogenide Phase‐Change Materials Xu, Ming; Mai, Xianliang; Lin, Jun Advanced Functional Materials, Vol. 30, Issue 50 https://doi.org/10.1002/adfm.202003419	journal	September 2020
Thermal Effects in Amorphous-Semiconductor Switching Kaplan, Theodore; Adler, David Applied Physics Letters, Vol. 19, Issue 10 https://doi.org/10.1063/1.1653754	journal	November 1971
Structural features of chalcogenide glass SiTe: An ovonic threshold switching material Gu, Rongchuan; Xu, Meng; Yu, Run APL Materials, Vol. 9, Issue 8 https://doi.org/10.1063/5.0059845	journal	August 2021
Toward the Speed Limit of Phase‐Change Memory Shen, Jiabin; Song, Wenxiong; Ren, Kun Advanced Materials, Vol. 35, Issue 11 https://doi.org/10.1002/adma.202208065	journal	February 2023
Nanomaterials in transistors: From high-performance to thin-film applications Franklin, A. D. Science, Vol. 349, Issue 6249 https://doi.org/10.1126/science.aab2750	journal	August 2015
Structure, bonding nature and transition dynamics of amorphous Te Qiao, Chong; Xu, Meng; Wang, Songyou Scripta Materialia, Vol. 202 https://doi.org/10.1016/j.scriptamat.2021.114011	journal	September 2021
Unveiling the structural origin to control resistance drift in phase-change memory materials Zhang, Wei; Ma, Evan Materials Today, Vol. 41 https://doi.org/10.1016/j.mattod.2020.07.016	journal	December 2020
Stabilizing amorphous Sb by adding alien seeds for durable memory materials Xu, Meng; Li, Bowen; Xu, Kailang Physical Chemistry Chemical Physics, Vol. 21, Issue 8 https://doi.org/10.1039/C8CP07446A	journal	January 2019
High‐Throughput Screening for Phase‐Change Memory Materials Liu, Yu‐Ting; Li, Xian‐Bin; Zheng, Hui Advanced Functional Materials, Vol. 31, Issue 21 https://doi.org/10.1002/adfm.202009803	journal	March 2021
Reversible Electrical Switching Phenomena in Disordered Structures Ovshinsky, Stanford R. Physical Review Letters, Vol. 21, Issue 20 https://doi.org/10.1103/PhysRevLett.21.1450	journal	November 1968
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Locally formed conductive filaments in an amorphous Ga2Te3 ovonic threshold switching device Kim, Jaeyeon; Kim, Wansun; Kim, Jusung AIP Advances, Vol. 13, Issue 3 https://doi.org/10.1063/5.0140715	journal	March 2023
Ovonic Threshold Switch Chalcogenides: Connecting the First-Principles Electronic Structure to Selector Device Parameters Clima, Sergiu; Ravsher, Taras; Garbin, Daniele ACS Applied Electronic Materials, Vol. 5, Issue 1 https://doi.org/10.1021/acsaelm.2c01458	journal	December 2022
Improved phase-change characteristics of Si doped GeSbTe thin films used for phase change memory Tong, Liang; Xu, Ling; Jiang, Yifan Journal of Non-Crystalline Solids, Vol. 358, Issue 17 https://doi.org/10.1016/j.jnoncrysol.2011.11.022	journal	September 2012
Nucleation switching in phase change memory Karpov, V. G.; Kryukov, Y. A.; Savransky, S. D. Applied Physics Letters, Vol. 90, Issue 12 https://doi.org/10.1063/1.2715024	journal	March 2007
Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials Caravati, S.; Bernasconi, M.; Kühne, T. D. Applied Physics Letters, Vol. 91, Issue 17 https://doi.org/10.1063/1.2801626	journal	October 2007
The role of vacancies and local distortions in the design of new phase-change materials Wuttig, Matthias; Lüsebrink, Daniel; Wamwangi, Daniel Nature Materials, Vol. 6, Issue 2 https://doi.org/10.1038/nmat1807	journal	December 2006
Elemental electrical switch enabling phase segregation–free operation Shen, Jiabin; Jia, Shujing; Shi, Nannan Science, Vol. 374, Issue 6573 https://doi.org/10.1126/science.abi6332	journal	December 2021
Material relaxation in chalcogenide OTS SELECTOR materials Clima, S.; Garbin, D.; Devulder, W. Microelectronic Engineering, Vol. 215 https://doi.org/10.1016/j.mee.2019.110996	journal	July 2019
Extended endurance performance and reduced threshold voltage by doping Si in GeSe-based ovonic threshold switching selectors Li, Xiaodan; Yuan, Zhenhui; Lv, Shilong Thin Solid Films, Vol. 734 https://doi.org/10.1016/j.tsf.2021.138837	journal	September 2021
Analytical model for subthreshold conduction and threshold switching in chalcogenide-based memory devices Ielmini, Daniele; Zhang, Yuegang Journal of Applied Physics, Vol. 102, Issue 5 https://doi.org/10.1063/1.2773688	journal	September 2007
Nature of Atomic Bonding and Atomic Structure in the Phase-Change ${Ge}_{2} {Sb}_{2} {Te}_{5}$ Glass Xu, M.; Cheng, Y. Q.; Sheng, H. W. Physical Review Letters, Vol. 103, Issue 19 https://doi.org/10.1103/PhysRevLett.103.195502	journal	November 2009
Ultrahigh drive current and large selectivity in GeS selector Jia, Shujing; Li, Huanglong; Gotoh, Tamihiro Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-18382-z	journal	September 2020
Tailoring Mid‐Gap States of Chalcogenide Glass by Pressure‐Induced Hypervalent Bonding Towards the Design of Electrical Switching Materials Xu, Meng; Xu, Qundao; Gu, Rongchuan Advanced Functional Materials https://doi.org/10.1002/adfm.202304926	journal	August 2023

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