Douglas Irving

Associate Professor

Alumni Distinguished Undergraduate Professor and University Faculty Scholar
  • 919-515-6154
  • Engineering Building I (EB1) 3028A

The overarching goal of Irving’s research is to strongly couple theoretical predictions with experiment such that these predictions ultimately become part of an integrated materials design framework. To this end, his research group develops computational models and approaches that aid in the design of materials for technologically important applications. Current projects include determination of the properties of point defects in wide and ultrawide bandgap materials from density functional theory, development of first principles informed multiscale models used to study electrical conductivity in polycrystalline ceramics and properties of electronic devices, prediction of electrical and optical properties resulting from defect equilibria important to modern devices and quantum information applications, and determination of properties (mechanical and chemical) of multi-principle component and high entropy metallic alloys. All electro-optical projects have leveraged the point defects informatics framework developed by Irving and his group and this structured information is being utilized with artificial intelligence (AI) and machine learning (ML) approaches to accelerate the realization of desired properties through close collaboration with experimental groups.


Ph.D. 2004

Materials Science and Engineering

University of Florida

M.S. 2002

Materials Science and Engineering

University of Florida

B.S. 1997


Furman University


Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys
Li, X., Li, W., Irving, D. L., Varga, L. K., Vitos, L., & Schonecker, S. (2020), ACTA MATERIALIA, 189, 174–187.
Survey of acceptor dopants in SrTiO3: Factors limiting room temperature hole concentration
Bowes, P. C., Baker, J. N., & Irving, D. L. (2020), JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 103(2), 1156–1173.
An informatics software stack for point defect-derived opto-electronic properties: the Asphalt Project
Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2019), MRS COMMUNICATIONS, 9(3), 839–845.
Conductivity of iron-doped strontium titanate in the quenched and degraded states
Long, D. M., Cai, B., Baker, J. N., Bowes, P. C., Bayer, T. J. M., Wang, J.-J., … Dickey, E. C. (2019), JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 102(6), 3567–3577.
Finite temperature elastic properties of equiatomic CoCrFeNi from first principles
Wu, Y., & Irving, D. L. (2019), SCRIPTA MATERIALIA, 162, 176–180.
Mechanisms governing metal vacancy formation in BaTiO3 and SrTiO3 (vol 124, 114101, 2018)
Baker, J. N., Bowes, P. C., Harris, J. S., & Irving, D. L. (2019), JOURNAL OF APPLIED PHYSICS, 125(1).
Oxygen and silicon point defects in Al0.65Ga0.35N
Harris, J. S., Gaddy, B. E., Collazo, R., Sitar, Z., & Irving, D. L. (2019), PHYSICAL REVIEW MATERIALS, 3(5).
Space charge control of point defect spin states in AlN
Bowes, P. C., Wu, Y., Baker, J. N., Harris, J. S., & Irving, D. L. (2019), APPLIED PHYSICS LETTERS, 115(5).
Doping and compensation in Al-rich AlGaN grown on single crystal AlN and sapphire by MOCVD
Bryan, I., Bryan, Z., Washiyama, S., Reddy, P., Gaddy, B., Sarkar, B., … Sitar, Z. (2018), Applied Physics Letters, 112(6).
First-principles investigation of the micromechanical properties of fcc-hcp polymorphic high-entropy alloys
Li, X., Irving, D. L., & Vitos, L. (2018), Scientific Reports, 8(1).

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