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Title: How arsenic makes amorphous GeSe a robust chalcogenide glass for advanced memory integration

Journal Article · · Scripta Materialia
 [1];  [2]; ORCiD logo [3];  [4];  [4];  [5];  [1];  [1]
  1. Huazhong Univ. of Science and Technology, Wuhan (China); Hubei Yangtze Memory Laboratories, Wuhan (China)
  2. Huazhong Univ. of Science and Technology, Wuhan (China)
  3. Huazhong Univ. of Science and Technology, Wuhan (China); Nanyang Institute of Technology (China)
  4. Ames Lab., and Iowa State Univ., Ames, IA (United States)
  5. Fudan Univ., Shanghai (China)

The 3D integration technology in semiconductor fabrication requires a key component, the ovonic threshold switching (OTS) selector, to suppress the current leakage. The As doped amorphous (a-) GeSe glass is a commercialized OTS material in 3D phase-change memory, but the understanding of such a doping mechanism is still inadequate. Here we systematically explore the effect of As doping on the structural, bonding, and dynamics properties of a-GeAsSe using ab initio molecular dynamics simulations. The results reveal that As atoms form strong bonds with both Ge and Se atoms. The distorted octahedral structures and the 5-fold rings linked by atoms are increased. All of these structural features lead to a more disordered configuration. Moreover, as atoms have notably slowed down the atomic mobility, rendering a-GeAsSe a high stability. Overall, our studies offer insightful understanding of As-doping in OTS materials, paving the way for the design and application of advanced selector devices.

Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
China Postdoctoral Science Foundation; Fundamental Research Funds for the Central Universities; Key Projects of Basic Research of the Shanghai Municipal Science and Technology Commission; National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division
Grant/Contract Number:
AC02-07CH11358
OSTI ID:
1892310
Report Number(s):
IS-J-10,813
Journal Information:
Scripta Materialia, Journal Name: Scripta Materialia Vol. 218; ISSN 1359-6462
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (52)

LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory journal June 2020
Ovonic Threshold‐Switching Ge x Se y Chalcogenide Materials: Stoichiometry, Trap Nature, and Material Relaxation from First Principles journal February 2020
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 journal September 2021
Raman scattering and infrared reflectivity in GeSe journal May 1976
Broken chemical order and phase separation in GexSe1−x glasses journal January 1983
Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems journal June 2010
The local structural differences in amorphous Ge-Sb-Te alloys journal February 2019
The investigations of characteristics of GeSe thin films and selector devices for phase change memory journal July 2019
Structure, bonding nature and transition dynamics of amorphous Te journal September 2021
Yttrium-Doped Sb 2 Te 3 : A Promising Material for Phase-Change Memory journal September 2016
Phase Change Materials and Their Application to Nonvolatile Memories journal August 2009
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations journal August 1993
Relationship between structural order and the anomalies of liquid water journal January 2001
Aging mechanisms in amorphous phase-change materials journal June 2015
Understanding the phase-change mechanism of rewritable optical media journal September 2004
Phase-change materials for rewriteable data storage journal November 2007
Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5 journal July 2019
Ultrahigh drive current and large selectivity in GeS selector journal September 2020
Ab initio molecular dynamics and materials design for embedded phase-change memory journal February 2021
Designing crystallization in phase-change materials for universal memory and neuro-inspired computing journal January 2019
Te-based chalcogenide materials for selector applications journal August 2017
Zn1−xTex Ovonic Threshold Switching Device Performance and its Correlation to Material Parameters journal August 2018
Materials Selection and Mechanism of Non-linear Conduction in Chalcogenide Selector Devices journal February 2019
Evolution of short- and medium-range order in the melt-quenching amorphization of Ge 2 Sb 2 Te 5 journal January 2018
Short range order and network connectivity in amorphous AsTe 3 : a first principles, machine learning, and XRD study journal January 2020
Evidence for trap-limited transport in the subthreshold conduction regime of chalcogenide glasses journal May 2007
Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials journal October 2007
Nanosecond threshold switching of GeTe 6 cells and their potential as selector devices journal April 2012
A C–Te-based binary OTS device exhibiting excellent performance and high thermal stability for selector application journal June 2018
Ab initiomolecular dynamics for liquid metals journal January 1993
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Structural investigation of GeSb 2 Te 4 :  A high-speed phase-change material journal March 2004
Structural phase transitions on the nanoscale: The crucial pattern in the phase-change materials Ge 2 Sb 2 Te 5 and GeTe journal December 2007
First-principles study of liquid and amorphous Sb 2 Te 3 journal January 2010
Binary Alloys of Ge and Te: Order, Voids, and the Eutectic Composition journal May 2008
Signature of Tetrahedral Ge in the Raman Spectrum of Amorphous Phase-Change Materials journal February 2010
Distortion of Local Atomic Structures in Amorphous Ge-Sb-Te Phase Change Materials journal May 2018
Reversible Electrical Switching Phenomena in Disordered Structures journal November 1968
Valence-Alternation Model for Localized Gap States in Lone-Pair Semiconductors journal November 1976
Generalized Gradient Approximation Made Simple journal October 1996
An ultra high endurance and thermally stable selector based on TeAsGeSiSe chalcogenides compatible with BEOL IC Integration for cross-point PCM conference December 2017
Atomistic investigation of the electronic structure, thermal properties and conduction defects in Ge-rich GexSe1−x materials for selector applications conference December 2017
Ultra-High Endurance and Low IOFF Selector based on AsSeGe Chalcogenides for Wide Memory Window 3D Stackable Crosspoint Memory conference December 2018
Steep Slope Field-Effect Transistors With B–Te-Based Ovonic Threshold Switch Device journal January 2018
Half-threshold bias Ioff reduction down to nA range of thermally and electrically stable high-performance integrated OTS selector, obtained by Se enrichment and N-doping of thin GeSe layers conference June 2018
Phase change memory technology
  • Burr, Geoffrey W.; Breitwisch, Matthew J.; Franceschini, Michele
  • Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, Vol. 28, Issue 2 https://doi.org/10.1116/1.3301579
journal March 2010
Reducing the stochasticity of crystal nucleation to enable subnanosecond memory writing journal November 2017
Phase-change heterostructure enables ultralow noise and drift for memory operation journal August 2019
Ultralow–switching current density multilevel phase-change memory on a flexible substrate journal September 2021
Ovonic threshold switching selectors for three-dimensional stackable phase-change memory journal September 2019
Innovative PCM+OTS device with high sub-threshold non-linearity for non-switching reading operations and higher endurance performance conference June 2017