Copper Better than Silver: Electrical Resistivity of the Grain-Free Single-Crystal Copper Wire

Cho, Yong Chan; Lee, Seunghun; Ajmal, Muhammad; Kim, Wonkyung; Cho, Chae Ryong; Jeong, Se–Young; Park, Jeung Hun; Park, Sang Eon; Park, Sungkyun; Pak, Hyuk-Kyu; Kim, Hyoung Chan

doi:10.1021/cg1003808

Cited by 50 publications

(36 citation statements)

References 25 publications

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“…Figure 4b shows the calculated defect-limited resistivity for vacancy defects in copper, at low temperatures between 2−50 K (see Methods). The calculated resistivity is independent of temperature, in agreement with experimental results [32,33], even though the conductivity formula we use [Eq. (9)] depends on temperature via the Fermi-Dirac distribution.…”

Section: Relaxation Times and Defect-limited Transportsupporting

confidence: 84%

Ab initio electron-defect interactions using Wannier functions

Park

Zhou

et al. 2020

npj Comput Mater

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Computing electron-defect (e-d) interactions from first principles has remained impractical due to computational cost. Here we develop an interpolation scheme based on maximally localized Wannier functions (WFs) to efficiently compute e-d interaction matrix elements. The interpolated matrix elements can accurately reproduce those computed directly without interpolation, and the approach can significantly speed up calculations of e-d relaxation times and defect-limited charge transport. We show example calculations of vacancy defects in silicon and copper, for which we compute the e-d relaxation times on fine uniform and random Brillouin zone grids (and for copper, directly on the Fermi surface) as well as the defect-limited resistivity at low temperature. Our interpolation approach opens doors for atomistic calculations of charge carrier dynamics in the presence of defects.

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Section: Relaxation Times and Defect-limited Transportsupporting

confidence: 84%

Ab initio electron-defect interactions using Wannier functions

Park

Zhou

et al. 2020

npj Comput Mater

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“…[ 2–4 ] Furthermore, high‐index Cu surfaces, with special symmetries and surface states, provide a promising platform for the epitaxial growth of 2D materials, such as graphene and hexagonal boron nitride. [ 5–10 ] To obtain high‐index Cu single crystals, mechanical cutting of bulk Cu single crystals, [ 11,12 ] and epitaxial deposition of Cu films on single‐crystal inorganic substrates [ 3,13,14 ] are mainly employed, though these approaches remain hindered by the limited size and index choice.…”

Section: Figurementioning

confidence: 99%

Large Single‐Crystal Cu Foils with High‐Index Facets by Strain‐Engineered Anomalous Grain Growth

Sun

Chang

et al. 2020

Advanced Materials

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The rich and complex arrangements of metal atoms in high‐index metal facets afford appealing physical and chemical properties, which attracts extensive research interest in material science for the applications in catalysis and surface chemistry. However, it is still a challenge to prepare large‐area high‐index single crystals in a controllable and cost‐efficient manner. Herein, entire commercially available decimeter‐sized polycrystalline Cu foils are successfully transformed into single crystals with a series of high‐index facets, relying on a strain‐engineered anomalous grain growth technique. The introduction of a moderate thermal‐contact stress upon the Cu foil during the annealing leads to the formation of high‐index grains dominated by the thermal strain of the Cu foils, rather than the (111) surface driven by the surface energy. Besides, the designed static gradient of the temperature enables the as‐formed high‐index grain seed to expand throughout the entire Cu foil. The as‐received high‐index Cu foils can serve as the templates for producing high‐index single‐crystal Cu‐based alloys. This work provides an appealing material basis for the epitaxial growth of 2D materials, and the applications that require the unique surface structures of high‐index metal foils and their alloys.

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“…olycrystalline metals have numerous grain boundaries (GBs) that affect their electrical and mechanical properties, whereas singlecrystal metals have no GBs and show different properties. For example, single-crystal Cu has a lower electrical resistivity than polycrystalline Cu owing to the elimination of electron scattering at GBs (1,2), and single-crystal superalloys have a high resistance to creep (3), which can be driven by the sliding of GBs. The growth of graphene on catalytic single-crystal metal substrates by chemical vapor deposition has attracted great attention because certain planes have a small lattice mismatch with graphene [Cu(111):~3 to 4%; Ni(111):…”

mentioning

confidence: 99%

Colossal grain growth yields single-crystal metal foils by contact-free annealing

Jin

Huang

Kwon

et al. 2018

Science

182

136

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Single-crystal metals have distinctive properties owing to the absence of grain boundaries and strong anisotropy. Commercial single-crystal metals are usually synthesized by bulk crystal growth or by deposition of thin films onto substrates, and they are expensive and small. We prepared extremely large single-crystal metal foils by “contact-free annealing” from commercial polycrystalline foils. The colossal grain growth (up to 32 square centimeters) is achieved by minimizing contact stresses, resulting in a preferred in-plane and out-of-plane crystal orientation, and is driven by surface energy minimization during the rotation of the crystal lattice followed by “consumption” of neighboring grains. Industrial-scale production of single-crystal metal foils is possible as a result of this discovery.

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Copper Better than Silver: Electrical Resistivity of the Grain-Free Single-Crystal Copper Wire

Cited by 50 publications

References 25 publications

Ab initio electron-defect interactions using Wannier functions

Ab initio electron-defect interactions using Wannier functions

Large Single‐Crystal Cu Foils with High‐Index Facets by Strain‐Engineered Anomalous Grain Growth

Colossal grain growth yields single-crystal metal foils by contact-free annealing

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