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Opportunity at Air Force Research Laboratory (AFRL)

First-Principles Modeling of Material Properties for Electronic and Opto-Electronic Sensors


Sensors Directorate, RY/Electromagnetics Technology Division

RO# Location
13.35.01.B8542 Wright-Patterson AFB, OH 454337542


Name E-mail Phone
Badescu, Catalin S 937.713.8872


This is an opportunity to participate in developing an atomistic-level understanding of properties and processes in semiconductors for cutting-edge electronic devices and sensors. This fundamental level is part of a multiscale “Atoms to Devices” effort at the Air Force Research Laboratory, under which theoreticians interact closely with experimentalists for material characterization and with engineers for device design and characterization. Materials studied range from wide to low bandgap semiconductors to two-dimensional layered materials. Electronic properties addressed include point defects and doping in semiconductors, bandgap engineering, electronic properties of two-dimensional material interfaces, electron-phonon coupling, and optical spectra. Structural properties addressed include elastic, vibrational, and phase stability properties of binary semiconductors and alloys. The modeling leverages the high-performance computing facilities (HPC) of the Department of Defense and is based primarily on density functional packages like VASP, Quantum Espresso, and NWChem. In addition, it involves analytical modeling and data processing by desktop applications, such as Matlab and Mathematica.



Oshima Y, Ahmadi E, Badescu SC, Wu F, Speck JS: “Composition determination of β-(Al x Ga1−x )2O3 layers coherently grown on (010) β-Ga2O3 substrates by high-resolution X-ray diffraction". Applied Physics Express 9: 061102, 2016

Bannow, LC, Rubel O, Badescu SC, et al: "Configuration dependence of band-gap narrowing and localization in dilute GaAs1−xBix alloys". Physical Review B 93: 205202, 2016

Siegel G, Ciobanu, CV Narayanan B, Snure M, Badescu SC: "Heterogeneous Pyrolysis: A Route for Epitaxial Growth of hBN Atomic Layers on Copper Using Separate Boron and Nitrogen Precursors". Nano Letters, 2017. doi: 10.1021/acs.nanolett.6b05409


Semiconductors; Computation; Sensors; Materials science; First principles; Density functional theory; Alloys; 2D materials; Point defects;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral and Senior applicants
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