arXiv subjects

Scott W. Schmucker

Publications and source records attributed to Scott W. Schmucker.

10 recordsLinked to original sources

arXiv2026

Island Sliding Barriers: A first-principles metric for determining remote epitaxy viability

Remote epitaxy, where a 2D van der Waals material (usually graphene) is inserted on top of the substrate before film epitaxy, has emerged as a promising path for growing electronics with lower defect rates and less stringent lattice matching requirements. The exact mechanism behind remote epitaxy has not been definitively shown, however, and it is not obvious when examining a new substrate-film pair whether they would be compatible with the remote epitaxy process. In this paper, we use first principles calculations to test several different mechanisms for determining whether a given substrate-film pair will successfully be grown with remote epitaxy. We find that previously calculated metrics such as electrostatic potential do not hold sufficient explanatory power. We find that the sliding barrier of small islands on the surface when the atomic positions are allowed to optimize provides the most rigorous criteria for whether a given substrate-film pair is remote epitaxy active. This indicates that remote epitaxy is likely a phenomenon related to the kinetics and ease of island migration on the graphene surface.

cond-mat.mtrl-sci↗

arXiv2025

Roadmap on Atomic-scale Semiconductor Devices

Spin states in semiconductors provide exceptionally stable and noise-resistant environments for qubits, positioning them as optimal candidates for reliable quantum computing technologies. The proposal to use nuclear and electronic spins of donor atoms in silicon, introduced by Kane in 1998, sparked a new research field focused on the precise positioning of individual impurity atoms for quantum devices, utilising scanning tunnelling microscopy and ion implantation. This roadmap article reviews the advancements in the 25 years since Kane's proposal, the current challenges, and the future directions in atomic-scale semiconductor device fabrication and measurement. It covers the quest to create a silicon-based quantum computer and expands to include diverse material systems and fabrication techniques, highlighting the potential for a broad range of semiconductor quantum technological applications. Key developments include phosphorus in silicon devices such as single-atom transistors, arrayed few-donor devices, one- and two-qubit gates, three-dimensional architectures, and the development of a toolbox for future quantum integrated circuits. The roadmap also explores new impurity species like arsenic and antimony for enhanced scalability and higher-dimensional spin systems, new chemistry for dopant precursors and lithographic resists, and the potential for germanium-based devices. Emerging methods, such as photon-based lithography and electron beam manipulation, are discussed for their disruptive potential. This roadmap charts the path toward scalable quantum computing and advanced semiconductor quantum technologies, emphasising the critical intersections of experiment, technological development, and theory.

quant-ph↗

arXiv2023

Suppression of mid-infrared plasma resonance due to quantum confinement in delta-doped silicon

The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:$δ$-layers - atomically thin sheets of phosphorus dopants in silicon that induce novel electronic properties beyond traditional doping. Previously it was shown that P:$δ$-layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the $δ$-layer as discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge density confinement and resulting quantum mechanical description of a P:$δ$-layer. We show that the absence of a plasma resonance feature results from a combination of two factors: i), the sharply varying charge density profile due to strong confinement in the direction of growth; and ii), the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the $δ$-layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its novel electronic properties.

cond-mat.mes-hall↗

arXiv2022

Accelerated Lifetime Testing and Analysis of Delta-doped Silicon Test Structures

As transistor features shrink beyond the 2 nm node, studying and designing for atomic scale effects become essential. Being able to combine conventional CMOS with new atomic scale fabrication routes capable of creating 2D patterns of highly doped phosphorus layers with atomic precision has implications for the future of digital electronics. This work establishes the accelerated lifetime tests of such doped layers, showing that these materials survive high current (>3.0 MA/cm2) and 300$^{\circ}$C for greater than 70 days and are still electrically conductive. The doped layers compare well to failures in traditional metal layers like aluminum and copper where mean time to failure at these temperatures and current densities would occur within hours. It also establishes that these materials are more stable than metal features, paving the way toward their integration with operational CMOS.

cond-mat.mtrl-sci↗

arXiv2020

A model for atomic precision p-type doping with diborane on Si(100)-2$\times$1

Diborane (B$_2$H$_6$) is a promising molecular precursor for atomic precision p-type doping of silicon that has recently been experimentally demonstrated [T. {Š}kere{ň}, \textit{et al.,} Nature Electronics (2020)]. We use density functional theory (DFT) calculations to determine the reaction pathway for diborane dissociating into a species that will incorporate as electrically active substitutional boron after adsorbing onto the Si(100)-2$\times$1 surface. Our calculations indicate that diborane must overcome an energy barrier to adsorb, explaining the experimentally observed low sticking coefficient ($< 10^{-4}$ at room temperature) and suggesting that heating can be used to increase the adsorption rate. Upon sticking, diborane has an $\sim 50\%$ chance of splitting into two BH$_3$ fragments versus merely losing hydrogen to form a dimer such as B$_2$H$_4$. As boron dimers are likely electrically inactive, whether this latter reaction occurs is shown to be predictive of the incorporation rate. The dissociation process proceeds with significant energy barriers, necessitating the use of high temperatures for incorporation. Using the barriers calculated from DFT, we parameterize a Kinetic Monte Carlo model that predicts the incorporation statistics of boron as a function of the initial depassivation geometry, dose, and anneal temperature. Our results suggest that the dimer nature of diborane inherently limits its doping density as an acceptor precursor, and furthermore that heating the boron dimers to split before exposure to silicon can lead to poor selectivity on hydrogen and halogen resists. This suggests that while diborane works as an atomic precision acceptor precursor, other non-dimerized acceptor precursors may lead to higher incorporation rates at lower temperatures.

cond-mat.mtrl-sci↗

arXiv2020

Low Thermal Budget High-k/Metal Surface Gate for Buried Donor-Based Devices

Atomic precision advanced manufacturing (APAM) offers creation of donor devices in an atomically thin layer doped beyond the solid solubility limit, enabling unique device physics. This presents an opportunity to use APAM as a pathfinding platform to investigate digital electronics at the atomic limit. Scaling to smaller transistors is increasingly difficult and expensive, necessitating the investigation of alternative fabrication paths that extend to the atomic scale. APAM donor devices can be created using a scanning tunneling microscope (STM). However, these devices are not currently compatible with industry standard fabrication processes. There exists a tradeoff between low thermal budget (LT) processes to limit dopant diffusion and high thermal budget (HT) processes to grow defect-free layers of epitaxial Si and gate oxide. To this end, we have developed an LT epitaxial Si cap and LT deposited Al2O3 gate oxide integrated with an atomically precise single-electron transistor (SET) that we use as an electrometer to characterize the quality of the gate stack. The surface-gated SET exhibits the expected Coulomb blockade behavior. However, the leverage of the gate over the SET is limited by defects in the layers above the SET, including interfaces between the Si and oxide, and structural and chemical defects in the Si cap. We propose a more sophisticated gate stack and process flow that is predicted to improve performance in future atomic precision devices.

cond-mat.mtrl-sci↗

arXiv2020

Atomic Precision Advanced Manufacturing for Digital Electronics

An exponential increase in the performance of silicon microelectronics and the demand to manufacture in great volumes has created an ecosystem that requires increasingly complex tools to fabricate and characterize the next generation of chips. However, the cost to develop and produce the next generation of these tools has also risen exponentially, to the point where the risk associated with progressing to smaller feature sizes has created pain points throughout the ecosystem. The present challenge includes shrinking the smallest features from nanometers to atoms (10 nm corresponds to 30 silicon atoms). Relaxing the requirement for achieving scalable manufacturing creates the opportunity to evaluate ideas not one or two generations into the future, but at the absolute physical limit of atoms themselves. This article describes recent advances in atomic precision advanced manufacturing (APAM) that open the possibility of exploring opportunities in digital electronics. Doing so will require advancing the complexity of APAM devices and integrating APAM with CMOS.

physics.app-ph↗

arXiv2019

Atomic-scale Control of Tunnel Coupling

Atomically precise donor-based quantum devices are a promising candidate for scalable solid-state quantum computing. Atomically precise design and implementation of the tunnel coupling in these devices is essential to realize gate-tunable exchange coupling, and electron spin initialization and readout. Current efforts in atomically precise lithography have enabled deterministic placement of single dopant atoms into the Si lattice with sub-nm precision. However, critical challenges in atomically precise fabrication have meant systematic, atomic-scale control of the tunneling coupling has not been demonstrated. Here using a room-temperature grown locking layer and precise control over the entire atomic-scale fabrication process, we demonstrate atomic-scale control of the tunnel coupling in atomically precise single-electron transistors (SETs). Using the naturally occurring Si (100) 2x1 surface reconstruction lattice as an atomically-precise ruler, we systematically vary the number of lattice counts within the tunnel junction gaps and demonstrate exponential scaling of the tunneling resistance at the atomic limit. Using low-temperature transport measurements, we characterize the tunnel coupling asymmetry in a pair of nominally identical tunnel gaps that results from atomic-scale variation in the tunnel junction and show a resistance difference of four that corresponds to half a dimer row pitch difference in the effective tunnel gap distances - the intrinsic limit of hydrogen lithography precision on Si (100) 2x1 surfaces. Our results demonstrate the key capability to do atom-scale design and engineering of the tunnel coupling necessary for solid-state quantum computing and analog quantum simulation.

cond-mat.mes-hall↗

arXiv2016

Role of Pressure in the Growth of Hexagonal Boron Nitride Thin Films from Ammonia-Borane

We analyze the optical, chemical, and electrical properties of chemical vapor deposition (CVD) grown hexagonal boron nitride (h-BN) using the precursor ammonia-borane ($H_3N-BH_3$) as a function of $Ar/H_2$ background pressure ($P_{TOT}$). Films grown at $P_{TOT}$ less than 2.0 Torr are uniform in thickness, highly crystalline, and consist solely of h-BN. At larger $P_{TOT}$, with constant precursor flow, the growth rate increases, but the resulting h-BN is more amorphous, disordered, and $sp^3$ bonded. We attribute these changes in h-BN grown at high pressure to incomplete thermolysis of the $H_3N-BH_3$ precursor from a passivated Cu catalyst. A similar increase in h-BN growth rate and amorphization is observed even at low $P_{TOT}$ if the $H_3N-BH_3$ partial pressure is initially greater than the background pressure $P_{TOT}$ at the beginning of growth. h-BN growth using the $H_3N-BH_3$ precursor reproducibly can give large-area, crystalline h-BN thin films, provided that the total pressure is under 2.0 Torr and the precursor flux is well-controlled.

cond-mat.mtrl-sci↗

arXiv2013

Electronic Hybridization of Large-Area Stacked Graphene Films

Direct, tunable coupling between individually assembled graphene layers is a next step towards designer two-dimensional (2D) crystal systems, with relevance for fundamental studies and technological applications. Here we describe the fabrication and characterization of large-area (> cm^2), coupled bilayer graphene on SiO2/Si substrates. Stacking two graphene films leads to direct electronic interactions between layers, where the resulting film properties are determined by the local twist angle. Polycrystalline bilayer films have a "stained-glass window" appearance explained by the emergence of a narrow absorption band in the visible spectrum that depends on twist angle. Direct measurement of layer orientation via electron diffraction, together with Raman and optical spectroscopy, confirms the persistence of clean interfaces over large areas. Finally, we demonstrate that interlayer coupling can be reversibly turned off through chemical modification, enabling optical-based chemical detection schemes. Together, these results suggest that individual 2D crystals can be individually assembled to form electronically coupled systems suitable for large-scale applications.

cond-mat.mtrl-sci↗