Elif Ertekin

most citedQuantitative Modeling of Point Defects in

β

-Ga2O3 Combining Hybrid Functional Energetics with Semiconductor and Processes Thermodynamics

16 citations · 21 across the 7 of their papers we have counts for

collaborators

8 papers

cond-mat.mtrl-sci2025

Nitrogen-related short-range order in Fe-Ni-Cr austenitic stainless steels: first principles and cluster expansion study

Tianyu Su, Brian J. Blankenau, Namhoon Kim +2

Nitrogen (N) is a key alloying element that enhances the performance of Fe-Ni-Cr austenitic stainless steels, improving austenite stability, corrosion resistance, and yield strengt…

cond-mat.mtrl-sci2025

Diffusion of acceptor dopants in monoclinic $β$ -Ga $_{2}$ O $_{3}$

Channyung Lee, Michael A. Scarpulla, Elif Ertekin +1

$β$ -Ga $_{2}$ O $_{3}$ is a leading ultra-wide band gap semiconductor, but its performance depends on precise control over dopant incorporation and stability. In this work, we use first-p…

cond-mat.mtrl-sci2025

CLAMM: a spin CLuster expansion--Monte Carlo toolkit for Alloys and Magnetic Materials

Brian Blankenau, Tianyu Su, Namhoon Kim +1

Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, cr…

cond-mat.mtrl-sci2025

Investigation of O interstitial diffusion in $β$ -Ga $_{2}$ O $_{3}$ : direct approach via master diffusion equations

Grace McKnight, Channyung Lee, Elif Ertekin

Monoclinic $β$ -Ga $_{2}$ O $_{3}$ , a promising wide band gap semiconducting material, exhibits complex, anisotropic diffusional characteristics and mass transport behavior as a results of…

cond-mat.mtrl-sci2025★ 16 cited

Quantitative Modeling of Point Defects in $β$ -Ga2O3 Combining Hybrid Functional Energetics with Semiconductor and Processes Thermodynamics

Khandakar Aaditta Arnab, Megan Stephens, Isaac Maxfield +5

B-gallium oxide (B-Ga2O3) is of high interest for power electronics because of its unique combination of melt growth, epitaxial growth, n-type dopability, ultrawide bandgap, and hi…

cond-mat.mtrl-sci2024

First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe-Ni-Cr austenitic stainless steels

Tianyu Su, Brian J. Blankenau, Namhoon Kim +2

Short-range order (SRO) alters the mechanical properties of technologically relevant structural materials such as medium/high entropy alloys and austenitic stainless steels. In thi…

cond-mat.mtrl-sci2024★ 5 cited

Dismai-Bench: Benchmarking and designing generative models using disordered materials and interfaces

Adrian Xiao Bin Yong, Tianyu Su, Elif Ertekin

Generative models have received significant attention in recent years for materials science applications, particularly in the area of inverse design for materials discovery. Howeve…

cond-mat.mtrl-sci2024

Investigation of Ga interstitial and vacancy diffusion in $β$ -Ga $_{2}$ O $_{3}$ via split defects: a direct approach via master diffusion equations

Channyung Lee, Michael A. Scarpulla, Elif Ertekin

The low symmetry of monoclinic $β$ -Ga $_{2}$ O $_{3}$ leads to elaborate intrinsic defects, such as Ga vacancies split amongst multiple lattice sites. These defects contribute to fast, an…

Nitrogen-related short-range order in Fe-Ni-Cr austenitic stainless steels: first principles and cluster expansion study

Diffusion of acceptor dopants in monoclinic β-Ga2​O3​

CLAMM: a spin CLuster expansion--Monte Carlo toolkit for Alloys and Magnetic Materials

Investigation of O interstitial diffusion in β-Ga2​O3​: direct approach via master diffusion equations

Quantitative Modeling of Point Defects in β-Ga2O3 Combining Hybrid Functional Energetics with Semiconductor and Processes Thermodynamics

First-principles and cluster expansion study of the effect of magnetism on short-range order in Fe-Ni-Cr austenitic stainless steels

Dismai-Bench: Benchmarking and designing generative models using disordered materials and interfaces

Investigation of Ga interstitial and vacancy diffusion in β-Ga2​O3​ via split defects: a direct approach via master diffusion equations

Diffusion of acceptor dopants in monoclinic $β$ -Ga $_{2}$ O $_{3}$

Investigation of O interstitial diffusion in $β$ -Ga $_{2}$ O $_{3}$ : direct approach via master diffusion equations

Quantitative Modeling of Point Defects in $β$ -Ga2O3 Combining Hybrid Functional Energetics with Semiconductor and Processes Thermodynamics

Investigation of Ga interstitial and vacancy diffusion in $β$ -Ga $_{2}$ O $_{3}$ via split defects: a direct approach via master diffusion equations