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PUBLICATIONS


43
S. Mukhopadhyay and D. A. Stewart, "First principles study of the phonon dispersion and dielectric properties of wurtzite InP: Role of In 4d electrons", Physical Review B, 89, 054302 (2014).
42
J. B. Hertzberg, M. Aksit, O. O. Otelaja, D. A. Stewart, and R. D. Robinson, "Direct Measurements of Surface Scattering in Si Nanosheets using a Microscale Phonon Spectrometer: Implications for Casimir-Limit Predicted by Ziman Theory", Nano Letters, 14, 403 (2014).  (Press coverage: Article was highlighted in the Search and Discovery section of the February 2014 Physics Today.  The Cornell Chronicle also featured the work here.)
41
N. Mingo, D. A. Stewart, D.A. Broido, L. Lindsay, and W. Li "Ab-Initio Thermal Transport", (Book Chapter) in the book Length-Scale Dependent Phonon Interactions, edited by S. L. Shinde and G. P. Srivastava, Springer-Verlag (2013). [If you have problems accessing the chapter online, please feel free to contact me for a copy].
40
W. Li, L. Lindsay, D. A. Broido, D. A. Stewart, and N. Mingo, "Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first principles", Physical Review B, 86, 174307 (2012). (Download Ecommons Version)
39
Z. Boekelheide, D. A. Stewart, and F. Hellman, "Chemical ordering in Cr3Al and relation to semiconducting behavior", Physical Review B, 86, 085120 (2012). (Download Ecommons Version)
38
D. A. Stewart, A. Kundu, W. Li, L. Lindsay, N. Mingo, and D. A. Broido, "Designing Thermal Transport in Energy Materials: A First Principles Approach", Proceedings of the 244th American Chemical Society Meeting; Prepr. Pap-Am. Chem. Soc. Div. Energy Fuels, 57, 558 (2012).
37
W. Li, N. Mingo, L. Lindsay, D. A. Broido, D. A. Stewart, and N. A. Katcho, "Thermal conductivity of diamond nanowires from first principles", Physical Review B, 85, 195436 (2012). (Download Ecommons Version)
36
Z. Boekelheide, T. Saerbeck, A. Stampfl, R. A. Robinson, D. A. Stewart, and F. Hellman, "Antiferromagnetism in Cr3Al and relation to semiconducting behavior", Physical Review B, 85, 094413 (2012). (Download Ecommons Version)
35
D. A. Stewart, "A Cautionary Tale of Two Basis Sets and Graphene", Computing in Science and Engineering, 14, 55 (2012). (Local Preprint)
34
D. A. Stewart and K. A. Mkhoyan "Graphene Oxide: Synthesis, Characterization, Electronic Structure, and Applications" (Book Chapter) in the new book Graphene Nanoelectronics: Metrology, Synthesis, Properties, and Applications , Springer, editor Hassan Raza, 2012.

You can find more information on the upcoming book at Springer here.
33
A. Kundu, N. Mingo, D.A. Broido, and D.A. Stewart, "The role of lighter and heavier embedded nanoparticles on the thermal conductivity of SiGe alloys", Physical Review B, 84, 125426 (2011). (ArXiv Version)
32
F. Zhou, A. L. Moore, J. Bolinsson, A. Persson, L. Froberg, M. T. Pettes, H. Kong, L. Rabenberg, P. Caroff, D. A. Stewart, N. Mingo, K. A. Dick, L. Samuelson, H. Linke, and L. Shi, "Thermal Conductivity of indium arsenide nanowires with wurtzite and zinc blende phases", Physical Review B, 83, 205416 (2011). (Download Ecommons Version)

31
Z. Boekelheide, A. X. Gray, C. Papp, B. Balke, D. A. Stewart, S. Ueda, K. Kobayashi, F. Hellman, and C. S. Fadley "Band gap and electronic structure of an epitaxial, semiconducting Cr0.80Al0.20 thin film" Physical Review Letters, 105, 236404 (2010). (Ecommons Version)
30
P. E. Hopkins, M. L. Bauer, J. C. Duda, J. L. Smoyer, T. S. English, P. M. Norris, T. E. Beechem, and D. A. Stewart, "Ultrafast thermoelectric properties of gold under conditions of strong electron-phonon nonequilibrium" Journal of Applied Physics, 108, 104907 (2010). (Download Ecommons Version)
29
D. A. Stewart, "A new type of magnetic tunnel junction based on spin filtering through a reduced symmetry oxide: FeCo|Mg3B2O6|FeCo" Nano Letters, 10, 263 (2010).  Note! If you do not have a subscription to Nano Letters, ACS provides an author-directed link (free_pdf_version) to access the article for free (registration on the ACS site is required) If you run into problems, let me know.
28
N. Mingo, K. Esfarjani, D. A. Broido, and D. A. Stewart, "Cluster scattering effects on phonon conduction in graphene", Physical Review B 81, 045408 (2010). (Ecommons Version)
27
A. Ward, D. A. Broido, D. A. Stewart, and G. Deinzer, "Ab-initio theory of the lattice thermal conductivity in diamond", Physical Review B 80, 125203 (2009). (Ecommons Version)
26
P. E. Hopkins and D. A. Stewart, "Contribution of d-band electrons to ballistic transport and scattering during electron-phonon nonequilibrium in nanoscale Au films using an ab-initio density of states", Journal of Applied Physics, 106,  053512 (2009).
25
K. Mhoyan, A. Contryman, J. Silcox, D. A. Stewart, E. Goki, C. Mattevi, S. Miller, M. Chhowalla, "Atomic and Electronic Structure of Graphene-Oxide", Nano Letters, 9 1058 (2009). [Currently one of the top 20 most cited articles from Nano Letters in the last 3 three years.] If you do not have a subscription to Nano Letters, ACS provides an author-directed link (free_pdf_version) to access the article for free (registration on the ACS site is required) If you run into problems, let me know.
24
I. Savic, D. A. Stewart, and N. Mingo, "Thermal conduction mechanisms in boron nitride nanotubes: few-shell versus all-shell conduction", Physical Review B, 78, 235434 (2008). (Local copy)
23
D. A. Stewart, I. Savic, and N. Mingo, "First-principles calculation of the isotope effect on boron nitride nanotube thermal conductivity", Nano Letters, 9, 81 (2009).
22
I. Savic, N. Mingo, and D. A. Stewart, "Phonon transport in isotope-disordered carbon and boron-nitride nanotubes: Is localization observable?", Physical Review Letters, 101, 165502 (2008). (Local copy)
21
D. A. Broido, N. Mingo, and D. A. Stewart, "Phonon thermal transport in bulk and nanostructure materials from first principles", Proceedings of the 2008 ASME Mechanical Engineering Conference and Exposition, IMECE2008-67049 (2008).
20
E. K. Yu, D. A. Stewart, and S. Tiwari, “Ab-initio study of polarizability and induced charge densities in multilayer graphene films”, Physical Review B, 77, 195406, (2008). (Ecommons Version)
19
D. A. Stewart, “Ab-initio investigation of phonon dispersion and anomalies in palladium”, New Journal of Physics, 10, 043025, (2008). (New Journal of Physics is an Open Access journal so the published article is free to download) (Download Article)
18
N. Mingo, D. A. Stewart, D. A. Broido, and D. Srivastava, “Phonon transmission through defects in nanotubes from first principles”, Physical Review B 77, 033418, (2008). (Local copy)
17
D. A. Broido, M. Malorny, G. Birner, N. Mingo, and D. A. Stewart, “Intrinsic lattice thermal conductivity of semiconductors from first principles”, Applied Physics Letters 91, 231922, (2007).* (Ecommons Version)
16
E. Y. Tsymbal, K. D. Belashchenko, J. P. Velev, S. S. Jaswal, M. van Schilfgaarde, I. I. Oleynik, and D. A. Stewart, “Interface effects in spin-dependent tunneling", Progress in Materials Science, 52, 401, (2007). (ArXiv Version)
15
D. A. Stewart “Magnetism in coaxial palladium nanowires”, Journal of Applied Physics, 101, 09D503, (2007). (Ecommons Version)
14
F. Léonard and D. A. Stewart, “Properties of short channel ballistic carbon nanotube transistors with ohmic contacts”, Nanotechnology, 17, 4699, (2006). (ArXiv Version)
13
J. Velev, K. D. Belashchenko, D. A. Stewart, M. van Schilfgaarde, S. S. Jaswal, and E. Y. Tsymbal, “Negative spin polarization and large tunneling magnetoresistance in epitaxial Co/SrTiO 3/Co magnetic tunnel junctions”, Physical Review Letters, 95, 216601, (2005). (Digital Commons version)
12
S. Faleev, F. Léonard, D. A. Stewart, and M. van Schilfgaarde, “Ab-initio TB-LMTO method for non-equilibrium electron transport in nanosystems”, Physical Review B, 71, 195422, (2005). (Local copy)
11
D. A. Stewart and F. Léonard, “Energy Conversion Efficiency in Nanotube Optoelectronics”, Nano Letters, 5, 219, (2005).
10
D. A. Stewart and F. Léonard, “Photocurrents in Nanotube Junctions”, Physical Review Letters, 93, 107401, (2004). (Local copy)
9
K. D. Belashchenko, E. Y. Tsymbal, M. van Schilfgaarde, D. A. Stewart, I. I. Oleynik, and S. Jaswal, “Spin-dependent tunneling from clean and oxidized Co surfaces”, Journal of Magnetism and Magnetic Materials, 272-276, 1954, (2004). 
8
K. D. Belashchenko, E. Y. Tsymbal, M. van Schilfgaarde, D. A. Stewart, I. I. Oleynik, and S. Jaswal, “Effect of Interface Bonding on Spin-Dependent Tunneling from oxidized Co Surfaces”, Physical Review B, 69, 174408, (2004). (ArXiv Version)
7
D. A. Stewart, W. H. Butler, X.-G. Zhang, and V. F. Los, “Interfacial Scattering in Magnetic Multilayers and Spin Valves”, Physical Review B, 68, 014433, (2003). (Local copy)
6
D. A. Stewart and M. van Schilfgaarde, “Digitally doped magnetic resonant tunneling devices: High tunneling magnetoresistance systems”, Journal of Applied Physics, 93, 7355, (2003).* (Local Copy)
5
I. Angelini, M. Garstang, S. Macko, R. Swap, D. Stewart, and H. Cunha, “Isotopic Variations and Internal Storm Dynamics in the Amazon Basin”, (Book Chapter) in Cloud Systems, Hurricanes, and the Tropical Rainfall Measuring Mission (TRMM), Meteorological Monographs, 29, no. 51, 81-93, edited by W.-K. Tao and R. Alder, American Meteorological Society, Boston, (2003).

You can find out more details on the book here.
4
D. A. Stewart, "Effect of Diffusive Scattering on Giant Magnetoresistance in Magnetic Multilayers", Ph. D. Dissertation, University of Virginia, (2001).
3
D. A. Stewart and P. M. Norris, “Size Effects on the Thermal Conductivity of Thin Metallic Wires: Microscale Implications”, Microscale Thermophysical Engineering, 4, no. 2, 89, (2000).  (Local Post-Print)
2
D. A. Stewart, "Surface and Size Effects on the Thermal Conductivity of Microscale Metallic Structures," Masters of Science Thesis, University of Virginia, (1998).
1
J. L. Hostetler, D. Stewart, C. E. Daitch, C. A. Ashley, and P. M. Norris, “Optical Polarized Reflectance Characterization of Thin Aerogel and Xerogel Films", Journal of Non-Crystalline Solids, 225, 19, (1998). (Local Post-Print) (Index of Refraction Data)

*Legal Stuff:   Applied Physics Letters Copyright (2007), Journal of Applied Physics article: Copyright (2003), American Institute of Physics.  This article can be downloaded for personal use only.  Any other use requires prior permission of the author and the American Institute of Physics.  The local post-print of the J. of Non-Crystalline Solids is made available for personal use and is provided under the author rights for Elsevier publications.

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PRESENTATIONS (including 28 Invited Presentations)


"From Spins to Phonons: Applying Transport Lessons to First Principles Heat Transfer", (invited plenary speaker), 54th Sanibel Symposium, St. Simons, Georgia, February 18th, 2014.

"Using Phonon Engineering of Materials to Aid in Energy Conservation", (invited talk) Derek Stewart, UCLA Institute of Pure and Applied Mathematics (IPAM) Workshop on Energy Conservation and Waste Heat Recovery, UCLA, Los Angeles, November 20th, 2013.

"First Principles Design of Thermoelectrics", (invited talk) Derek Stewart, Materials Science and Engineering Department Seminar, University of Virginia, Charlottesville, VA, November 11, 2013.

"Tailoring Thermal Properties in Nanostructured Energy Materials", (invited talk) Derek Stewart, Thermal Transport at the Nanoscale Workshop, Telluride Science Research Center, Telluride, CO, June 28, 2013.

"First principles thermal transport in nanostructured thermoelectric alloys and nanowires", (invited talk) Derek Stewart, 2013 Spring Materials Research Society (MRS) Meeting, Symposium V: Nanoscale Heat Transfer: From Fundamentals to Devices, San Francisco, CA, April 4, 2013.

"Designing Thermal Transport in Energy Materials: A First Principle Approach", (invited talk), Derek Stewart, A. Kundu, W. Li, L. Lindsay, N. Mingo, and D. A. Broido, 244th annual American Chemical Society Meeting, Philadelphia, PA, August 23, 2012.

"First Principles Framework for Thermal Transport", Derek Stewart, (invited talk) Carnegie Mellon University, Pittsburgh, PA, July 16th, 2012.

"Ab-Initio Calculation of Phonon Transport in Crystalline and Disordered Materials", Derek Stewart, (poster), NSF 2012 CBET Grantee Conference, Baltimore, Maryland, June 6th-8th, 2012.

"An Introduction to First Principles Thermal Conductivity", Derek Stewart, (invited talk and tutorial), IWCE Phonon School, Madison, Wisconsin, May 22nd, 2012.

"Ab-initio Thermal Conductivity for Thermoelectric Nanostructured Materials", D. A. Stewart, A. Kundu, N. Mingo, A. Ward, D. A. Broido, 2012 TMS Meeting, Orlando, FL, March 14th, 2012.

"Ab-Initio Heat Transfer in Materials and Nanostructures" (invited talk) Symposium W, Fall MRS Meeting 2011 Nov. 30th, 2011.

"Ab-Initio Foundation for Thermal Transport" (invited talk) University of Exeter, Exeter, UK, October 25th, 2011.

"First Principles Thermal Transport: Learning how to orchestrate Phonons", (invited talk) Nanomaterials Theory Institute, Oak Ridge National Laboratory, Oak Ridge, TN, October 20th, 2011.

"Phonons by Design: Using Density Functional Theory to understand and engineer thermal transport in materials and nanostructures", California State University Northridge, Northridge, California, (invited talk) Sept. 28th, 2011.

"First principles thermal transport in materials and nanostructures with energy applications", (invited talk), Cornell Material Science and Engineering Department Colloquium, Cornell University, Ithaca, NY Sept. 22nd, 2011.

"A density functional approach for predicting thermal transport in materials and nanostructures", (poster), New York Academy of Sciences Gotham-Metro Condensed Matter Meeting, New York Academy of Sciences, New York, NY April 15th, 2011.

"Ab-initio heat transfer: Predicting thermal transport in nanostructures and materials from the atoms up", (invited talk) Condensed Matter Seminar Series, Case Western Reserve University, Cleveland, Ohio, April 4th, 2011.

"The prospect of magnetic tunnel junctions based on reduced symmetry oxides", (invited plenary speaker), 51st Sanibel Symposium, St. Simons, Georgia, February 26th, 2011. 

"Developing a Virtual Vault for Pseudopotentials: A NNIN/C Initiative", D. A. Stewart, Nanoinformatics 2010, Arlington, VA, November 4th, 2010.

"Keeping Nano Cool... A First Principles Approach to Understanding and Potentially Controlling Nanoscale Thermal Transport", (invited talk) D. A. Stewart, 2010 CNF Annual Meeting, Cornell University, Ithaca, September 16, 2010.

"Predicting thermal transport in nanostructures and materials from first principles", (invited talk) D. A. Stewart, Nebraska Center for Nanoscience and Materials, University of Nebraska, Lincoln, NE, April 22, 2010.

"A novel reduced symmetry oxide (Mg3B2O6) for FeCo or Fe magnetic tunnel junctions", D. A. Stewart, APS March Meeting, Portland, OR, March 16, 2010.

"A new type of magnetic tunnel junction based on a reduced symmetry oxide: Mg3B2O6: How a supporting actor (Boron) could steal the show...", D. A. Stewart, University of California at Berkeley, February 22, 2010

"Thermal transport in disordered nanostructures: a first principles perspective", D. A. Stewart, Thermoelectric Transport: Progress in First Principles and Other Approaches, CECAM Workshop, Lausanne, Switzerland, July 23, 2009

"Spin dependent transport in FeCo|MgBO|FeCo magnetic tunnel junctions: Can boron in the oxide region be a good thing", D. A. Stewart, APS March Meeting, Pittsburgh, PA, March 20, 2009.

"A first principle framework for thermal transport in nanostructures and materials", (invited talk) Derek Stewart, Naval Research Laboratory, Dec. 8th, 2008.

"A first principles approach to thermal transport in materials and nanostructures" D. A. Stewart, Computational Materials Seminar, Cornell University, Nov. 19th, 2008.

"An ab-initio study of the impact of oxide layer boron in the tunneling magnetoresistance of FeCoB/MgO(B)/FeCoB junctions", D. A. Stewart, 53rd annual conference on Magnetism and Magnetic Materials, Austin, TX Nov. 13th, 2008.

"The impact of isotopes on the thermal conductivity of boron nitride nanotubes", (poster) D. A. Stewart, I. Savic, N. Mingo, 6th Japan-US Joint Seminar on Nanoscale Transport Phenomena, Boston, MA, July 15th, 2008

“A first principles perspective on thermal transport in nanostructures with defects”, D. A. Stewart, I. Savic, N. Mingo, APS March Meeting, New Orleans, LA March 12th, 2008.

“A unified approach to nanoscale charge and energy transport”, (invited talk), D. A. Stewart, Wake Forest University, Winston-Salem, NC, January 31st, 2008.

Phonons from First Principles: Density Functional Perturbation Theory”, D. A. Stewart, Defining the Interface of Nanoscience and Geology, 3rd Annual CNF Fall Workshop, Cornell University, November 13th, 2007.

“Building nanostructures on your computer: Atomic numbers, positions, and some assembly required”, (invited talk), D. A. Stewart, Prairie View A&M University, Prairie View, Texas, September 28th, 2007.

“Developing Tools for the Nanoscale World: Green’s Functions and Nanoscale Transport”, (invited talk), D. A. Stewart, Friedrich-Alexander University, Erlangen-Nuremberg, Germany, July 2nd, 2007.

“The role of intrinsic regions in nanotube photodiodes”, D. A. Stewart, APS March Meeting, Denver, CO March 5th, 2007.

“Coaxial Palladium Nanowires: Magnetism and Transport”, D. A. Stewart, Joint MMM/Intermag Conference, Baltimore, MD, 2007.

"NNIN Computation" (poster), Future of Nanotechnology Conference: CNF 30th Anniversary Event, 2007.

“Magnetism and Transport in Coaxial Palladium Nanowires”, (poster), Gordon Conference on Magnetic Nanostructures, Oxford, England, 2006.

“Nanotube Optoelectronics: Detecting light in the nanoscale world”, (invited talk), D. A. Stewart, Synergy between Experiment and Computation in Nanoscale Science, Harvard University, Boston, MA June 2, 2006.

"Lean, Mean, and Green!  Nanoscale Transport and Green's Functions", (invited talk), D. A. Stewart, Molecular Electronics Group Meeting, Cornell University, January, 13, 2006.

“Magnetism in Pd nanowires”, D. A. Stewart, MRS Fall Meeting, Boston, MA November 30, 2005.

Muffin Tins, Green’s Functions, and more!”, D. A. Stewart, Modeling the Nanoscale World: 2005 Cornell Nanoscale Facility Fall Workshop, Cornell University, October 10, 2005.

On the Magnetic Edge: Pd Nanowires”, D. A. Stewart, Psi-K 2005 Conference, Schwabish Gmund, Germany, September 21, 2005.

"Detecting Light with Nanotubes", (invited talk), D. A. Stewart, IRG-E working group, Cornell University, February 10th, 2005.

"High Performance Modeling through the NNIN", NNIN Computation Open House, APS March Meeting, Los Angeles, CA March 23rd, 2005.

“Modeling Electronic Transport in Nanoscale Devices”, D. A. Stewart, (invited talk), Cornell Nanoscale Facility, Cornell University, Ithaca, NY September 8, 2004.

"Detecting Light with Nanotubes”, (invited talk), D. A. Stewart, Stanford Research Institute (SRI), Palo Alto, CA, June 9, 2004.

“Detecting Light with Nanotubes”, (invited talk), D. A. Stewart, Lawrence Livermore National Laboratory, Livermore, CA, April 29, 2004.

“Nanotubes for Optoelectronics”, D. A. Stewart and F. Léonard, APS March Meeting, Montreal, Canada 2004.

“Photocurrents in Nanotube Junctions”, D. A. Stewart and F. Léonard, American Vacuum Society 50th International Symposium, 2003.

Introduction to the Layered Korringa-Kohn-Rostoker (LKKR) Approach”, (invited talk), D. A. Stewart, Stanford University, September 2003.

“Photocurrents in Carbon Nanotube Devices”, D. A. Stewart and F. Léonard, APS March Meeting, Austin, TX 2003.

“Spin polarized tunneling in delta doped resonant tunneling devices”, D. A. Stewart and M. van Schilfgaarde, MRS Fall Meeting, 2002.

“Principal Layer Green Function Approach for Magnetic Tunneling”, D. A. Stewart and M. van Schilfgaarde, APS March Meeting, Indianapolis, Indiana, 2002.

"Modeling Interfaces in Magnetic Multilayers", (poster) D. A. Stewart, X. W. Zhou, X. G. Zhang, and W. H. Butler, APS March Meeting, 2002

“Interfacial Scattering and the Specularity Parameter”, D. A. Stewart, (invited talk), Sandia National Laboratories, Livermore, CA, June 28, 2001.

“Giant Magnetoresistance in Spin Valve Multilayers”, D. A. Stewart University of Virginia, Charlottesville, VA, April 5, 2001.

“Interfacial Scattering in Magnetic Multilayers”, D. A. Stewart, X.-G. Zhang and W. H. Butler, APS March Meeting, Seattle, WA 2001.

“Role of Surface Scattering and Impurities in Giant Magnetoresistance”, D. A. Stewart, X.-G. Zhang and W. H. Butler, Pan-American Studies Institute on Computational Materials Science, Summer School – Santiago, Chile 2001. Group Picture

“Size Effects on the Thermal Conductivity of Thin Metallic Wires” D. Stewart and P. M. Norris, Joint AIAA/ASME Thermophysics and Heat Transfer Conference, Albuquerque, NM 1998.

“Curvature of Spacetime”, D. A. Stewart and E. Lane, Regional meeting of the Tennessee Academy of Science, 1995. (received Best Presentation honors)

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Tutorial Presentations

 

Lean, Mean, and Green!  Nanoscale Transport and Green's Functions (Presentation to the Molecular Electronics Group Meeting, Cornell, January 13, 2006)

Muffin Tins, Green’s Functions, and more!  (Presentation given at the CNF Fall Workshop 2005)

Introduction to Layered KKR approach (Presentation originally given at Stanford University, September 2003)

Detecting Light with Nanotubes (Presentation to IRG-E working group, Cornell, February 10th, 2005)

High Performance Modeling through the NNIN (Presentation at NNIN Computation Open House, March 23rd, 2005, APS March Meeting)

Tutorials related to the Linear Muffin Tin Orbital approach

A very brief introduction to the PWscf package for density functional calculations that I put together for a tutorial session in a NNIN conference at Harvard in 2006.

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