arXiv subjects

Baishakhi Mazumder

Publications and source records attributed to Baishakhi Mazumder.

11 recordsLinked to original sources

arXiv2026

Coordination-Sensitive Nanoscale Analysis of Defect-Driven Phase Transformation in Si-Doped (AlXGa1-X)2O3

Defect-driven phase instability critically influences the structural reliability of ultrawide bandgap oxides, yet direct nanoscale metrics linking local chemistry to structural transformation remain limited. Here, we introduce a coordination-sensitive atom probe tomography framework that quantitatively resolves reductions in local cation coordination and links them directly to defect-driven phase transformation. Using Si-doped beta-(AlxGa1-x)2O3 heterostructures with controlled Al composition (6-17%) and doping levels (10^17-10^20 cm^-3), we show that gamma-phase inclusions emerge exclusively under the combined conditions of elevated Al content and heavy Si doping. Two-dimensional compositional mapping reveals pronounced lateral Al/Ga inhomogeneity in these regions, while nearest-neighbor and radial distribution analyses quantitatively resolve a significant reduction in first-shell Ga coordination, consistent with local cation deficiency. Correlative scanning transmission electron microscopy confirms that these coordination-depleted regions coincide spatially with gamma-phase inclusions. Density functional theory further supports this mechanism, demonstrating that Al incorporation reduces monoclinic lattice stability and, in conjunction with donor-induced vacancy formation, facilitates vacancy-mediated cation rearrangement and coordination collapse. Together, these results establish coordination loss as a measurable nanoscale signature directly linked to defect-driven phase instability. This framework provides a generalizable approach for probing defect-driven phase instability in doped and alloyed ultrawide bandgap semiconductors.

cond-mat.mtrl-sci↗

arXiv2026

Frontiers of atom probe tomography physics, data processing, and analysis

Atom probe tomography (APT) fills a crucial need in the characterization workflow of materials by its ability to inform the 3D chemical microstructure at the nanoscale. As with any characterization techniques, APT has strengths and limitations that inform the interpretation of the data. Therefore, a challenge for the materials characterization community, and the APT community in particular, is the need to establish repeatable and reproducible workflows around the APT data acquisition, reconstruction, analysis, and sharing, in order to inform interpretation. Data interpretation also requires the continued development of our understanding of the physical processes responsible for field evaporation. We review recent developments in the experimental analysis of field evaporation and in the modeling of field evaporation leading to new understanding of common artifacts observed in reconstructed data. We then discuss current challenges with data analysis, translation of results, and data interpretation in the absence of community-agreed standards, and therefore, the crucial need for standardization at every stage of APT research, from data collection all the way to data reporting. This perspective is a summary of the invited presentations and discussions that took place during a workshop (August 4-5, 2024, Alexandria, Virginia, USA).

cond-mat.mtrl-sci↗

arXiv2025

Hidden Structural Variants in ALD NbN Superconducting Trilayers Revealed by Atomistic Analysis

Microscopic inhomogeneity within superconducting films is a critical bottleneck hindering the performance and scalability of quantum circuits. All-nitride Josephson Junctions (JJs) have attracted substantial attention for their potential to provide enhanced coherence times and enable higher temperature operation. However, their performance is often limited by local variations caused by polymorphism, impurities, and interface quality. This work diagnoses atomic-scale limitations preventing superconducting NbN/AlN/NbN JJs from reaching their full potential. Electrical measurements reveal suppressed critical current density and soft onset of quasiparticle current. However, inverse proportionality between resistance and junction area confirms homogenous barrier thickness. This isolates structural and chemical variations in electrodes and barrier as the source of performance limitation. The observed characteristics are attributed to complex materials problems: NbN polymorphism, phase coexistence, and oxygen impurities. Using advanced microscopy and machine learning integrated approach, nanoscale inclusions of epsilon-Nb2N2 are found to coexist within dominant delta-NbN electrodes. DC performance of JJs may be affected by these defects, leading to unresolved supercurrent and soft transition to normal state. By identifying specific atomic scale defects, tracing its origin to initial film nucleation, and linking to its detrimental electrical signature, this work establishes a material-to-device correlation and provides targeted strategy for phase engineering towards reproducible, high coherence and scalable quantum devices.

quant-ph↗

arXiv2025

All-nitride superconducting qubits based on atomic layer deposition

The development of large-scale quantum processors benefits from superconducting qubits that can operate at elevated temperatures and be fabricated with scalable, foundry-compatible processes. Atomic layer deposition (ALD) is increasingly being adopted as an industrial standard for thin-film growth, particularly in applications requiring precise control over layer thickness and composition. Here, we report superconducting qubits based on NbN/AlN/NbN trilayers deposited entirely by ALD. By varying the number of ALD cycles used to form the AlN barrier, we achieve Josephson tunneling through barriers of different thicknesses, with critical current density spanning seven orders of magnitude, demonstrating the uniformity and versatility of the process. Owing to the high critical temperature of NbN, transmon qubits based on these all-nitride trilayers exhibit microsecond-scale relaxation times, even at temperatures above 300 mK. These results establish ALD as a viable low-temperature deposition technique for superconducting quantum circuits and position all-nitride ALD qubits as a promising platform for operation at elevated temperatures.

quant-ph↗

arXiv2025

Revealing degradation mechanisms in YSZ ceramics through machine learning-guided aging and multiscale characterization

The long-term performance of yttria-stabilized zirconia (YSZ) based energy and biomedical devices is compromised by low-temperature degradation (LTD). This study presents a novel integration of machine learning-guided hydrothermal aging with multiscale characterization to resolve a two-stage degradation mechanism in 3 mol% YSZ. Stage 1 (0 to 30 hrs) features initial surface relief building, which transitions to partial refinement and relief distribution in stage 2 (30 to 60 hrs), alongside a rise in monoclinic phase content. The evolving microstructure increases triple-junction grain boundary density, and these junctions act as degradation hotspots, where vacancy exchange and water access accelerate the transformation. These findings highlight grain boundary chemistry, rather than grain size alone, as a key LTD driver, suggesting boundary engineering as a strategy to enhance YSZ stability for energy, biomedical, and thermal applications.

cond-mat.mtrl-sci↗

arXiv2025

Metalorganic Chemical Vapor Deposition of \b{eta}-(AlxGa1-x)2O3 thin films on (001) \b{eta}-Ga2O3 substrates

Phase pure \b{eta}-(AlxGa1-x)2O3 thin films are grown on (001) oriented \b{eta}-Ga2O3 substrates via metalorganic chemical vapor deposition (MOCVD). By systematically tuning the precursor molar flow rates, the epitaxial growth of coherently strained \b{eta}-(AlxGa1-x)2O3 films are demonstrated with up to 25% Al compositions as evaluated by high resolution x-ray diffraction (XRD). The asymmetrical reciprocal space mapping confirms the growth of coherent \b{eta}-(AlxGa1-x)2O3 films (x < 25%) on (001) \b{eta}-Ga2O3 substrates. While the films show smooth surface morphologies, the alloy inhomogeneity with local segregation of Al along (-201) plane is observed from atomic resolution STEM imaging, resulting in wavy and inhomogeneous interfaces in \b{eta}-(AlxGa1-x)2O3/\b{eta}-Ga2O3 superlattice structure. Room temperature Raman spectra of \b{eta}-(AlxGa1-x)2O3 films show similar characteristics peaks as (001) \b{eta}-Ga2O3 substrate without obvious Raman shifts for films with different Al compositions. Atom probe tomography (APT) was used to investigate the atomic level structural chemistry with increasing Al content in the \b{eta}-(AlxGa1-x)2O3 films. A monotonous increase in chemical heterogeneity is observed from the in-plane Al/Ga distributions which was further confirmed via statistical frequency distribution analysis (FDA). Although the films exhibit alloy fluctuations, n-type doping with good electrical properties are demonstrated for films with various Al compositions. The determined valence and conduction band offsets at \b{eta}-(AlxGa1-x)2O3/\b{eta}-Ga2O3 heterojunctions using x-ray photoelectron spectroscopy (XPS) reveal the formation of type-II (staggered) band alignment.

cond-mat.mtrl-sci↗

arXiv2021

Electrical and Thermal Property of Si/GaAs Heterojunction Formed by Ultra-Thin Oxide Interfacial Layer

We have successfully demonstrated Si/GaAs p-n heterostructures using Al2O3 ultra-thin oxide interfacial layers. The band diagram and band offsets were investigated using X-ray photoelectron spectroscopy and confirm a small discontinuity in the conduction band (0.03 eV) at the interface. The interface defect density (Dit) values of the heterointerface with different ultra-thin oxide (UO) thicknesses ranged from 0.35 nm to 3.5 nm and were also characterized based on a metal-oxide-semiconductor capacitor (MOSCAP) structure using a capacitance-voltage measurement. The results revealed that a thin UO interfacial layer (around 1 nm) maximizes carrier transport property due to better surface passivation and efficient tunneling properties. Thermal property investigation also shows that the Al2O3 UO interfacial layer offers a good tunneling layer but also facilitates phonon transport across the interface. Finally, the electrical characterization of Si/GaAs heterojunction p-n diodes confirms reliable rectifying behavior with an extremely low ideality factor; thus, heterogeneous integration using the UO approach offers a robust way to create more types of heterojunctions between dissimilar semiconductors.

cond-mat.mtrl-sci↗

arXiv2021

Investigation of the Imperfect Interface at the Si/GaAs Heterojunction Formed by Ultra-Thin Oxide Interfacial Layer

The structure property of non-ideal Si/GaAs heterostructures that were integrated with the ultra-thin oxide (UO) tunneling interfacial layer has been systematically investigated. Si nanomembranes (NMs) were oxidized in different time periods prior to the hetero-integration process to create the non-ideal single-side passivated Si/GaAs heterostructure. The atomic level oxygen distribution and the degree of oxygen content in Si NM and GaAs were carefully investigated using the atom probe tomography (APT) and X-ray photoelectron spectroscopy (XPS) to trace the changes in chemical composition and reactional mechanism across the UO interface when the surface of Si NM was exposed to air for different period of time. The negatively induced charges at the UO layer caused the oxygen diffusion to GaAs layer and formed the unwanted GaAs oxide layer. This native oxide stack noticeably degraded the thermal properties of the Si/GaAs heterostructure as Si NMs were more oxidized. This study revealed that the poor surface passivation on the one side of the heterointerface leads to a both-side oxidation, thus severely deteriorating the transport properties across the heterojunction that is formed with the UO layer.

cond-mat.mtrl-sci↗

arXiv2021

Dopant-defect interactions and their impact on local crystal stoichiometry studies in Mg-doped GaN via atom probe tomography

In this work, doping-defect interactions relevant to self-compensation in p-type GaN were investigated using atom probe tomography. The 3D visualization of ion distribution revealed the formation of spherical Mg-rich clusters and the segregation of Mg dopant towards dislocations in MOCVD-grown GaN:Mg. Impurities related to self-compensation, such as oxygen and hydrogen, were identified and detected adjacent to Mg-rich dislocations. Crystal stoichiometry around the defect regions was investigated to understand how the defects can serve as traps and influence dopant diffusion. Non-stoichiometric regions of N:Ga were found adjacent to Mg-rich dislocations and overlapping with some Mg-rich clusters, indicating potential traps. Variations in N:Ga were not proportional to the Mg content, suggesting that the microfeatures (clusters and dislocations) interact differently with local chemistry. Techniques for defining the quality of an APT experiment through invalidation of artifacts are also demonstrated. Mg-rich defects and variations in N:Ga were found to be independent of artifacts related to the evaporation field in APT.

cond-mat.mtrl-sci↗

arXiv2020

Direct observation of site-specific dopant substitution in Si doped (AlxGa1-x)2O3 via Atom Probe Tomography

In this work, the interaction of n-type dopants in Si doped (AlxGa1-x)2O3 films with varying Al content over the entire composition range (x = 0-100%) was analyzed using atom probe tomography. An almost uniform dopant distribution with dopant density in the range of 1018 cm-3 was obtained in all (AlxGa1-x)2O3 layers containing different Al contents. We have demonstrated that for the single phase \b{eta}-(AlxGa1-x)2O3 films with Al content of x<0.30, dopants prefer to occupy on Ga sites while Al site is preferred for high Al content (x>0.50) (AlxGa1-x)2O3 layers. It was also observed for Al content, x = 0.30-0.50, no specific cationic site occupancy was observed, Si occupies either Al or Ga sites. This can be attributed to highly inhomogeneous layers within this composition range due to which dopant Si atoms are either in the Al-rich or Al-depleted regions.

physics.app-ph↗

arXiv2020

Structural Heterogeneity, Ductility, and Glass Forming Ability of Zr-Based Metallic Glasses

We show the correlation between nanoscale structural heterogeneity and mechanical property and glass forming ability of Zr-based metallic glasses (MGs). Detailed parameters of medium range ordering (MRO) that constitutes the structural heterogeneity, including the type, size, and volume fraction of MRO domains determined using 4-dimensional scanning transmission electron microscopy, directly correlate with the ductility and glass forming ability of Zr-Cu-Co-Al MGs. Mesoscale deformation simulation incorporating the experimentally determined MRO confirms that the diverse types and sizes of MRO can significantly influence the MGs' mechanical behavior.

cond-mat.mtrl-sci↗