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Nano-regime Length Scales Extracted from the First Sharp Diffraction Peak in Non-crystalline SiO2 and Related Materials: Device Applications

Authors: Gerald Lucovsky; James C. Phillips;

Nano-regime Length Scales Extracted from the First Sharp Diffraction Peak in Non-crystalline SiO2 and Related Materials: Device Applications

Abstract

This paper distinguishes between two different scales of medium range order, MRO, in non-crystalline SiO(2): (1) the first is ~0.4 to 0.5 nm and is obtained from the position of the first sharp diffraction peak, FSDP, in the X-ray diffraction structure factor, S(Q), and (2) the second is ~1 nm and is calculated from the FSDP full-width-at-half-maximum FWHM. Many-electron calculations yield Si-O third- and O-O fourth-nearest-neighbor bonding distances in the same 0.4-0.5 nm MRO regime. These derive from the availability of empty Si dpi orbitals for back-donation from occupied O ppi orbitals yielding narrow symmetry determined distributions of third neighbor Si-O, and fourth neighbor O-O distances. These are segments of six member rings contributing to connected six-member rings with ~1 nm length scale within the MRO regime. The unique properties of non-crystalline SiO(2) are explained by the encapsulation of six-member ring clusters by five- and seven-member rings on average in a compliant hard-soft nano-scaled inhomogeneous network. This network structure minimizes macroscopic strain, reducing intrinsic bonding defects as well as defect precursors. This inhomogeneous CRN is enabling for applications including thermally grown ~1.5 nm SiO(2) layers for Si field effect transistor devices to optical components with centimeter dimensions. There are qualitatively similar length scales in nano-crystalline HfO(2) and phase separated Hf silicates based on the primitive unit cell, rather than a ring structure. Hf oxide dielectrics have recently been used as replacement dielectrics for a new generation of Si and Si/Ge devices heralding a transition into nano-scale circuits and systems on a Si chip.

Keywords

Materials Science(all), Nano-crystalline thin films, TA401-492, Non-crystalline materials, Special Issue Article, Chemical bonding self-organizations, Nano-crystalline/non-crystalline composites, Percolation theory, Condensed Matter Physics, Materials of engineering and construction. Mechanics of materials

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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    21
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    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
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    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
21
Top 10%
Top 10%
Average
Green
gold