arXiv subjects

Onurcan Kaya

Publications and source records attributed to Onurcan Kaya.

9 recordsLinked to original sources

arXiv2026

From Amorphous to Amorphous-Crystalline Mixed-Phase Boron Nitride: Evolution of the Thermal and Elastic Properties

Amorphous boron nitride (aBN) is a promising dielectric and protective coating, yet its nanoscale heat dissipation and elastic response remain poorly quantified. Here we synthesize a variety of BN thin films by borazine-based chemical vapor deposition (800-1000 C) and study the temperature-driven structural transition from fully amorphous networks to mixed amorphous-crystalline films with embedded BN nanocrystallites.Frequency-domain thermoreflectance data show an ultralow, thickness-dependent cross-plane thermal conductivity for aBN (kout < 0.5 W m-1 K-1 for 10-40 nm), which increases systematically with crystalline order up to 1.5 W m-1 K-1. Micro-Brillouin light scattering and finite-element modelling reveal a concomitant stiffening, with Young's modulus rising from 7.5 +/- 0.7 GPa (800 C) to 53 +/- 5 GPa (1000 C). Green-Kubo molecular dynamics simulations rationalize these trends via bonding topology and vibrational transport, and highlight how oxygen, hydrogen and carbon impurities and composition provide practical knobs to further tune the thermal and mechanical responses in BN films for improving nano-electronics, interconnects and coating applications.

cond-mat.mtrl-sci↗

arXiv2025

Toward Enhanced Inertial Sensing via Dynamically Soft Topological States in Piezoelectric Microacoustic Metamaterials

In recent decades, microelectromechanical systems (MEMS)-based gyroscopes have been employed to meet positioning and navigation demands of a plethora of commercially available devices. Most of such gyroscopes rely on electrostatic actuators with nanometer-scale air gaps$\unicode{x2013}$an architecture that enables large particle velocities in a proof mass and, consequently, high Coriolis-force sensitivity to angular velocity$\unicode{x2013}$but is inherently susceptible to damage under shock and vibration. This vulnerability is typically mitigated by purposely reducing gyroscopic sensitivity, thereby compromising readout accuracy. Microacoustic gyroscopes, by contrast, offer greater resilience to shock and vibration but currently exhibit significantly lower sensitivities. This limitation stems from the low dynamic compliance of the modes they employ$\unicode{x2013}$typically Lamb or Rayleigh modes$\unicode{x2013}$which restricts their maximum achievable particle velocity. This work presents a piezoelectric microacoustic device that overcomes this fundamental constraint by harnessing a topological interface state at the boundary between two microscale metamaterial structures. We theoretically and experimentally show that this state exhibits much higher modal compliance than Lamb or Rayleigh modes. This enables record-high particle velocities (>51 m/s) never reached, due to material limits, by any previously demonstrated piezoelectric gyroscope.

physics.app-ph↗

arXiv2025

Atomic-Scale Origins of Oxidation Resistance in Amorphous Boron Nitride

Amorphous boron nitride (\textrm{$α$}-BN) is a promising ultrathin barrier for nanoelectronics, yet the atomistic mechanisms governing its chemical stability remain poorly understood. Here, we investigate the structure-property relationship that dictates the oxidation of \textrm{$α$}-BN using a combination of machine-learning molecular dynamics simulations and angle-resolved X-ray photoelectron spectroscopy. The simulations reveal that the film structure, controlled by synthesis conditions, is the critical factor determining oxidation resistance. Dense, chemically ordered networks with a high fraction of B-N bonds effectively resist oxidation by confining it to the surface, whereas porous, defect-rich structures with abundant homonuclear B-B and N-N bonds permit oxygen penetration and undergo extensive bulk degradation. These computational findings are consistent with experimental trends observed in \textrm{$α$}-BN films grown by chemical vapour deposition. XPS analysis shows that a film grown at a higher temperature develops a more ordered structure with a B/N ratio nearer to stoichiometric and exhibits superior resistance to surface oxidation compared to its more defective, lower-temperature counterpart. Together, these results demonstrate that the oxidation resistance of \textrm{$α$}-BN is a tunable property directly linked to its atomic-scale morphology, providing a clear framework for engineering chemically robust dielectric barriers for future nanoelectronic applications.

cond-mat.mtrl-sci↗

arXiv2025

Amorphous Boron Nitride as an Ultrathin Copper Diffusion Barrier for Advanced Interconnects

This study focuses on amorphous boron nitride ($\rm α$-BN) as a novel diffusion barrier for advanced semiconductor technology, particularly addressing the critical challenge of copper diffusion in back-end-of-line (BEOL) interconnects. Owing to its ultralow dielectric constant and robust barrier properties, $\rm α$-BN is examined as an alternative to conventional low-k dielectrics. The investigation primarily employs theoretical modelling, using a Gaussian Approximation Potential, to simulate and understand the atomic-level interactions. This machine learning-based approach allows the performance of realistic simulations of amorphous structure of $\rm α$-BN, enabling the exploration of the impact of different film morphologies on barrier efficacy. Furthermore, we studied the electronic and optical properties of the films using a simple Tight-Binding model. In addition to the theoretical studies, we performed diffusion studies of copper through PECVD $\rm α$-BN on Si. The results from both the theoretical and experimental investigations highlight the potential of $\rm α$-BN as a highly effective diffusion barrier, suitable for integration in nanoelectronics. This research shows that $\rm α$-BN is a promising candidate for BEOL interconnects but also demonstrates the synergy of advanced computational models and experimental methods in material innovation for semiconductor applications.

cond-mat.mtrl-sci↗

arXiv2025

2D Hexagonal Boron Nitride-based Anticorrosion Coatings

The corrosion of metallic surfaces poses significant challenges across industries such as petroleum, energy, and biomedical sectors, leading to structural degradation, safety risks, and substantial maintenance costs. Traditional organic and metallic coatings provide some protection, but their limited durability and susceptibility to harsh environmental conditions necessitate the development of more advanced and efficient solutions. This has driven significant interest in two-dimensional (2D) materials, with graphene extensively studied for its exceptional mechanical strength and impermeability to gases and ions. However, while graphene offers short-term corrosion protection, its high electrical conductivity presents a long-term issue by promoting galvanic corrosion on metal surfaces. In contrast, hexagonal boron nitride (h-BN) has emerged as a promising alternative for anticorrosion coatings. h-BN combines exceptional chemical stability, impermeability, and electrical insulation, making it particularly suited for long-term protection in highly corrosive or high-temperature environments. While h-BN holds promise as anticorrosion material, challenges such as structural defects, agglomeration of nanosheets, and poor dispersion within coatings limit its performance. This review provides a comprehensive analysis of recent advancements in addressing these challenges, including novel functionalization strategies, scalable synthesis methods, and hybrid systems that integrate h-BN with complementary materials. By bridging the gap between fundamental research and industrial applications, this review outlines the potential for h-BN to revolutionize anticorrosion technologies. These obstacles necessitate advanced strategies such as surface functionalization to improve compatibility with polymer matrices and dispersion optimization to minimize agglomeration.

cond-mat.mtrl-sci↗

arXiv2024

Robust quantum engineering of current flow in carbon nanostructures at room temperature

Bottom-up on-surface synthesis enables the fabrication of carbon nanostructures with atomic precision. Good examples are graphene nanoribbons (GNRs), 1D conjugated polymers, and nanoporous graphenes (NPGs), which are gathering increasing attention for future carbon nanoelectronics. A key step is the ability to manipulate current flow within these nanomaterials. Destructive quantum interference (QI), long studied in the field of single-molecule electronics, has been proposed as the most effective way to achieve such control with molecular-scale precision. However, for practical applications, it is essential that such QI-engineering remains effective near or above room temperature. To assess this important point, here we combine large-scale molecular dynamics simulations and quantum transport calculations and focus our study on NPGs formed as arrays of laterally bonded GNRs. By considering various NPGs with different inter-GNR chemical connections we disentangle the different factors determining electronic transport in these carbon nanomaterials at 300 K. Our findings unequivocally demonstrate that QI survives at room temperature, with thermal vibrations weakly restricting current flow along GNRs while completely blocking transport across GNRs. Our results thus pave the way towards the future realization of QI-engineered carbon nanocircuitry operating at room temperature, which is a fundamental step towards carbon-based nanoelectronics and quantum technologies.

cond-mat.mes-hall↗

arXiv2024

Exploring Dielectric Properties in Models of Amorphous Boron Nitride

We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the periodic cell) sample sizes to explore the emergence of mid-gap states and its correlation with structural features. Next, by using a simplified tight-binding electronic model, we analyse the dielectric functions for complex three dimensional models (containing about $10.000$ atoms) embedding varying concentrations of ${\rm sp^{1}, sp^{2}}$ and ${\rm sp^3}$ bonds between B and N atoms. Within the limits of these methodologies, the resulting value of the zero-frequency dielectric constant is shown to be influenced by the population density of such mid-gap states and their localization characteristics. We observe nontrivial correlations between the structure-induced electronic fluctuations and the resulting dielectric constant values. Our findings are however just a first step in the quest of accessing fully accurate dielectric properties of as-grown amorphous BN of relevance for interconnect technologies and beyond.

cond-mat.mtrl-sci↗

arXiv2023

Impact of Hydrogenation on the Stability and Mechanical Properties of Amorphous Boron Nitride

Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron nitride (aBN) films have a very low dielectric constant, high density (above 2.1 g/cm3), high thermal stability, and mechanical properties. The excellent properties of aBN derive from the nature and degree of disorder, which can be controlled at fabrication, allowing tuning of the physical properties for desired applications. Here, we report an improvement in the stability and mechanical properties of amorphous boron nitride upon hydrogen doping. With the introduction of a Gaussian approximation potential (GAP) for atomistic simulations, we investigate the changing morphology of amorphous boron nitride with varying H doping concentrations. We found that for 8 at% of H doping, the concentration of $sp^3$-hybridized atoms reaches a maximum which leads to an improvement of thermal stability and mechanical properties by 20%. These results will be a guideline for experimentalists and process engineers to tune the growth conditions of amorphous boron nitride films for numerous applications.

cond-mat.mtrl-sci↗

arXiv2022

A 5.3 GHz Al0.76Sc0.24N Two-Dimensional Resonant Rods Resonator with a kt2 of 23.9%

This work reports on the measured performance of an Aluminum Scandium Nitride (AlScN) Two-Dimensional Resonant Rods resonator (2DRR), fabricated by using a Sc-doping concentration of 24%, characterized by a low off-resonance impedance (~25 Ohm) and exhibiting a record electromechanical coupling coefficient (kt2) of 23.9% for AlScN resonators. In order to achieve such performance, we identified and relied on optimized deposition and etching processes for highly-doped AlScN films, aiming at achieving high crystalline quality, low density of abnormally oriented grains in the 2DRR's active region and sharp lateral sidewalls. Also, the 2DRR's unit-cell has been acoustically engineered to maximize the piezo-generated mechanical energy within each rod and to ensure a low transduction of spurious modes around resonance. Due to its unprecedented kt2, the reported 2DRR opens exciting scenarios towards the development of next generation monolithic integrated radio-frequency (RF) filtering components. In fact, we show that 5th-order 2DRR-based ladder filters with fractional bandwidths (BW) of ~11%, insertion-loss (I.L) values of ~2.5 dB and with >30 dB out-of-band rejections can now be envisioned, paving an unprecedented path towards the development of ultra-wide band (UWB) filters for next-generation Super-High-Frequency (SHF) radio front-ends.

eess.SP↗