<i>Ab initio</i>
 screening of metallic MAX ceramics for advanced interconnect applications

Sankaran, Kiroubanand; Moors, Kristof; Tőkei, Zsolt; Adelmann, Christoph; Pourtois, Geoffrey

doi:10.1103/physrevmaterials.5.056002

Cited by 26 publications

(19 citation statements)

References 39 publications

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“…Starting from the conductivity tensor at zero temperature in Eq. ( 2), we can however introduce approximations that allow for the calculation of the ρλ product without any detailed knowledge about relaxation times [4,14,26,27]. A first approach is the assumption of a constant isotropic bulk mean free path, v (n) (k)τ (n) (k) = λ.…”

Section: A Semiclassical Transportmentioning

confidence: 99%

“…The group of example metals covers both reference metals (Cu), as well as metals that have been proposed as alternatives for interconnect metallization (Ru [12][13][14], V 2 AlC [27] in addition to novel binary intermetallics. The results below show that MoPt is also potentially of interest since some of its values in the ρτ tensor are comparable to Cu.…”

Section: B First-principles Calculations Of Band Structuresmentioning

confidence: 99%

“…Both quantities are bulk properties but their product provides an indicator for being highly conductive at reduced dimensions and is easily evaluated from first-principles-based band structure data. It has therefore been commonly considered for screening and preselecting promising metals [4,14,26,27].…”

mentioning

confidence: 99%

“…As more exotic metal materials and compounds with complicated band structures are being considered for nanoscale interconnect applications [14,15,[27][28][29][30][31][32], their resistivity (scaling) can be expected to depend strongly on temperature and, for polycrystalline textured or single crystal interconnects, the orientation of the interconnect line with respect to the lattice orientation. Therefore, the usefulness of the ρλ product as a figure-of-merit can be questioned, as it does not capture the anisotropy of the charge carriers in the conduction band(s).…”

mentioning

confidence: 99%

“…Therefore, the usefulness of the ρλ product as a figure-of-merit can be questioned, as it does not capture the anisotropy of the charge carriers in the conduction band(s). While there are strong indications that band structure anisotropy should not be neglected [33,34], the impact of band structure anisotropy on the resistivity scaling has received rather little attention so far [14,27,35,36].…”

mentioning

confidence: 99%

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First principles-based screening method for resistivity scaling of anisotropic metals

Moors¹,

Sankaran²,

Pourtois³

et al. 2021

Preprint

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The resistivity scaling of metals is a crucial factor for further downscaling of interconnects in nanoelectronic devices that affects signal delay, heat production, and energy consumption. Here, we present a screening method for metals with highly anisotropic band structures near the Fermi level with the aim to select promising materials in terms of their electronic transport properties and their resistivity scaling at the nanoscale. For this, we consider a temperature-dependent transport tensor, based on band structures obtained from first principles. This transport tensor allows for a straightforward comparison between different anisotropic metals in nanostructures with different lattice orientations. By evaluating the temperature dependence of the tensor components, we also find strong deviations from the zero-temperature transport properties at standard operating temperature conditions around room temperature.

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Section: A Semiclassical Transportmentioning

confidence: 99%

Section: B First-principles Calculations Of Band Structuresmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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First principles-based screening method for resistivity scaling of anisotropic metals

Moors¹,

Sankaran²,

Pourtois³

et al. 2021

Preprint

Self Cite

View full text Add to dashboard Cite

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Materials Quest for Advanced Interconnect Metallization in Integrated Circuits

et al. 2023

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Integrated circuits (ICs) are challenged to deliver historically anticipated performance improvements while increasing the cost and complexity of the technology with each generation. Front‐end‐of‐line (FEOL) processes have provided various solutions to this predicament, whereas the back‐end‐of‐line (BEOL) processes have taken a step back. With continuous IC scaling, the speed of the entire chip has reached a point where its performance is determined by the performance of the interconnect that bridges billions of transistors and other devices. Consequently, the demand for advanced interconnect metallization rises again, and various aspects must be considered. This review explores the quest for new materials for successfully routing nanoscale interconnects. The challenges in the interconnect structures as physical dimensions shrink are first explored. Then, various problem‐solving options are considered based on the properties of materials. New materials are also introduced for barriers, such as 2D materials, self‐assembled molecular layers, high‐entropy alloys, and conductors, such as Co and Ru, intermetallic compounds, and MAX phases. The comprehensive discussion of each material includes state‐of‐the‐art studies ranging from the characteristics of materials by theoretical calculation to process applications to the current interconnect structures. This review intends to provide a materials‐based implementation strategy to bridge the gap between academia and industry.

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Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Ramdas,

Zhou,

et al. 2024

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Interconnect materials play the critical role of routing energy and information in integrated circuits. However, established bulk conductors, such as copper, perform poorly when scaled down beyond 10 nm, limiting the scalability of logic devices. Here, a multi‐objective search is developed, combined with first‐principles calculations, to rapidly screen over 15,000 materials and discover new interconnect candidates. This approach simultaneously optimizes the bulk electronic conductivity, surface scattering time, and chemical stability using physically motivated surrogate properties accessible from materials databases. Promising local interconnects are identified that have the potential to outperform ruthenium, the current state‐of‐the‐art post‐Cu material, and also semi‐global interconnects with potentially large skin depths at the GHz operation frequency. The approach is validated on one of the identified candidates, CoPt, using both ab initio and experimental transport studies, showcasing its potential to supplant Ru and Cu for future local interconnects.

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Ab initio screening of metallic MAX ceramics for advanced interconnect applications

Cited by 26 publications

References 39 publications

First principles-based screening method for resistivity scaling of anisotropic metals

First principles-based screening method for resistivity scaling of anisotropic metals

Materials Quest for Advanced Interconnect Metallization in Integrated Circuits

Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

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