Publications
Journal/arXiv Papers
45. Cyrus E. Dreyer, Rouven Essig, Marivi Fernandez-Serra, Aman Singal, Cheng Zhen
Fully ab-initio all-electron calculation of dark matter–electron scattering in crystals with evaluation of systematic uncertainties
arXiv:2306.14944
44. Danis I. Badrtdinov, Carlos Rodriguez-Fernandez, Magdalena Grzeszczyk, Zhizhan Qiu, Kristina Vaklinova, Pengru Huang, Alexander Hampel, Kenji Watanabe, Takashi Taniguchi, Lu Jiong, Marek Potemski, Cyrus E. Dreyer, Maciej Koperski, Malte Rösner
Dielectric environment sensitivity of carbon centres in hexagonal boron nitride
Small, 2300144 (2023), arXiv:2305.08240
43. John Bonini, Shang Ren, David Vanderbilt, Massimiliano Stengel, Cyrus E. Dreyer, Sinisa Coh
Frequency splitting of chiral phonons from broken time reversal symmetry in CrI3
Phys. Rev. Lett. 130, 086701 (2023), arXiv:2208.14593
42. Sara Shabani, Thomas P. Darlington, Colin Gordon, Wenjing Wu, Emanuil Yanev, James Hone, Xiaoyang Zhu, Cyrus E. Dreyer, P. James Schuck, Abhay N. Pasupathy
Ultra Localized Optoelectronic Properties of Nanobubbles in 2D Semiconductors
Nano Lett. 18, 7401 (2022), arXiv:2208.14518
41. E. Cappelli, A. Hampel, A. Chikina, E. Bonini Guedes, G. Gatti, A. Hunter, J. Issing, N. Biskup, M. Varela, Cyrus E. Dreyer, A. Tamai, A. Georges, F.Y. Bruno, M. Radovic, F. Baumberger
Electronic structure of the highly conductive perovskite oxide SrMoO3
Phys. Rev. Materials 6, 075002 (2022), arXiv:2203.05820
40. Alexis Aguilar-Arevalo, Fabricio Alcalde Bessia, Nicolas Avalos, Daniel Baxter, Xavier Bertou, Carla Bonifazi, Ana Botti, Mariano Cababie, Gustavo Cancelo, Brenda Aurea Cervantes-Vergara, Nuria Castello-Mor, Alvaro Chavarria, Claudio R. Chavez, Fernando Chierchie, Juan Manuel De Egea, Juan Carlos D`Olivo, Cyrus E. Dreyer, Alex Drlica-Wagner, Rouven Essig, Juan Estrada, Ezequiel Estrada, Erez Etzion, Guillermo Fernandez-Moroni, Marivi Fernandez-Serra, Steve Holland, Agustin Lantero Barreda, Andrew Lathrop, Jose Lipovetzky, Ben Loer, Edgar Marrufo Villalpando, Jorge Molina, Santiago Perez, Paolo Privitera, Dario Rodrigues, Richard Saldanha, Diego Santa Cruz, Aman Singal, Nathan Saffold, Leandro Stefanazzi, Miguel Sofo-Haro, Javier Tiffenberg, Christian Torres, Sho Uemura, Rocio Vilar
The Oscura Experiment
arXiv:2202.10518
39. Vidushi Sharma, Benjamin Bein, Amanda Lai, Betül Pamuk, Cyrus E. Dreyer, Marivi Fernández-Serra, Matthew Dawber
Cooperative Interactions between Surface Terminations Explain Photocatalytic Water Splitting Activity on SrTiO3
Phys. Rev. X Energy 1, 023002 (2022), arXiv:2201.13443
38. Asier Zabalo, Cyrus E. Dreyer, Massimiliano Stengel
Rotational g factors and Lorentz forces of molecules and solids from density-functional perturbation theory
Phys. Rev. B 105, 094305 (2022), arXiv:2112.11946
37. Lukas Muechler, Danis I. Badrtdinov, Alexander Hampel, Jennifer Cano, Malte Rösner, Cyrus E. Dreyer
Quantum embedding methods for correlated excited states of point defects: Case studies and challenges
Phys. Rev. B 105, 235104 (2022), arXiv:2105.08705
36. Danis I. Badrtdinov, Alexander Hampel, Cyrus E. Dreyer
Interplay between breathing-mode distortions and magnetic order in rare-earth nickelates from ab initio magnetic models
Phys. Rev. B 104, 054403 (2021), arXiv:2103.08412
35. Cyrus E. Dreyer, Sinisa Coh, Massimiliano Stengel
Nonadiabatic Born effective charges in metals and the Drude weight
Phys. Rev. Lett. 128, 095901 (2022) Editor’s Suggestion, arXiv:2103.044251
34. Alexander Hampel, Jeremy Lee-Hand, Antoine Georges, Cyrus E. Dreyer
Correlation-Induced Octahedral Rotations in SrMoO3
Phys. Rev. B 104, 035102 (2021), arXiv:2012.07871
33. Nicholas L. Adamski, Cyrus E. Dreyer, and Chris G. Van de Walle
Polarization properties at rocksalt/wurtzite oxide interfaces
Phys. Rev. B 102, 201301(R) (2020)
32. Mark E. Turiansky, Audrius Alkauskas, Manuel Engel, Georg Kresse, Darshana Wickramaratne, Jimmy-Xuan Shen, Cyrus E. Dreyer, Chris G. Van de Walle
Nonrad: Computing Nonradiative Capture Coefficients from First Principles
Comput. Phys Commun. 267, 108056 (2021), arXiv:2011.07433
31. Jeremy Lee-Hand, Alexander Hampel, Cyrus E. Dreyer
First-principles study of the electronic, magnetic, and crystal structure of perovskite molybdates
Phys. Rev. Materials 5, 085001 (2021), arXiv:2011.08323
30. Cyrus E. Dreyer, Audrius Alkauskas, John L. Lyons, and Chris G. Van de Walle
Radiative capture rates at deep defects from electronic structure calculations
Phys. Rev. B 102, 085305 (2020), arXiv:2008.02732
29. Jinsoo Park, Jin-Jian Zhou, Vatsal A. Jhalani, Cyrus E. Dreyer, Marco Bernardi
Long-range quadrupole electron-phonon interaction from first principles
Phys. Rev. B 102, 125203 (2020), arXiv:2003.13782
28. Aldo H. Romero, Douglas C. Allan, Bernard Amadon Gabriel Antonius, Thomas Applencourt, Lucas Baguet, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, Fabien Bruneval, Guillaume Brunin, Damien Caliste, Michel Côté, Jules Denier, Cyrus Dreyer, Philippe Ghosez, Matteo Giantomassi, Yannick Gillet, Olivier Gingras, Donald R. Hamann, Geoffroy Hautier, François Jollet, Gérald Jomard, Alexandre Martin, Henrique P. C. Miranda, Francesco Naccarato, Guido Petretto, Nicholas A. Pike, Valentin Planes, Sergei Prokhorenko, Tonatiuh Rangel, Fabio Ricci, Gian-Marco Rignanese, Miquel Royo, Massimiliano Stengel, Marc Torrent, Michiel J. van Setten, Benoit Van Troeye, Matthieu J. Verstraete, Julia Wiktor, Josef W. Zwanziger, and Xavier Gonze
ABINIT: Overview and focus on selected capabilities
J. Chem. Phys. 152, 124102 (2020)
27. Vatsal A. Jhalani, Jin-Jian Zhou, Jinsoo Park, Cyrus E. Dreyer, Marco Bernardi
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN
Phys. Rev. Lett. 125, 136602 (2020), arXiv:2002.08351
26. V. Sunko, P. H. McGuinness, C. S. Chang, E. Zhakina, S. Khim, C. E. Dreyer, M. Konczykowski, M. König, D. A. Muller, A. P. Mackenzie
Controlled introduction of defects to delafossite metals by electron irradiation
Phys. Rev. X 10, 021018 (2020), arXiv:2001.01471
25. Leo J. McGilly, Alexander Kerelsky, Nathan R. Finney, Konstantin Shapovalov, En-Min Shih, Augusto Ghiotto, Yihang Zeng, Samuel L. Moore, Wenjing Wu, Yusong Bai, Kenji Watanabe, Takashi Taniguchi, Massimiliano Stengel, Lin Zhou, James Hone, Xiaoyang Zhu, Dmitri N. Basov, Cory Dean, Cyrus E. Dreyer, and Abhay N. Pasupathy
Visualization of moiré superlattices
Nature Nanotechnology 15, 580 (2020), arXiv:1912.06629
24. Darshana Wickramaratne, Cyrus E. Dreyer, Jimmy-Xuan Shen, John L. Lyons, Audrius Alkauskas, and Chris G. Van de Walle
Deep‐Level Defects and Impurities in InGaN Alloys
Phys. Status Solidi B. (2019), Featured Article
23. Nicholas L. Adamski, Cyrus E. Dreyer, Chris G. Van de Walle,
Giant polarization charge density at lattice-matched GaN/ScN interfaces
Appl. Phys. Lett. 115, 232103 (2019), arXiv:1910.00142
22. Darshana Wickramaratne, Jimmy-Xuan Shen, Cyrus E. Dreyer, Audrius Alkauskas, and Chris G. Van de Walle,
Electrical and optical properties of iron in GaN, AlN, and InN
Phys. Rev. B 99, 205202 (2019)
21. Andrea Schiaffino, Cyrus E. Dreyer, David Vanderbilt, and Massimiliano Stengel,
Metric-wave approach to flexoelectricity within density-functional perturbation theory
Phys. Rev. B 99, 085107 (2019), Editor’s Suggestion, arXiv:1811.12893
20. Darshana Wickramaratne, Cyrus E. Dreyer, Bartomeu Monserrat, Jimmy-Xuan Shen, John L. Lyons, Audrius Alkauskas, Chris G. Van de Walle,
Defect identification based on first-principles calculations for deep level transient spectroscopy
Appl. Phys. Lett. 113, 192106 (2018), Featured Article, arXiv:1810.05302
19. Cyrus E. Dreyer, Massimiliano Stengel, David Vanderbilt,
Current-density implementation for calculating flexoelectric coefficients,
Phys. Rev. B 98, 075153 (2018), Editor’s Suggestion, arXiv:1802.06390
18. Cyrus E. Dreyer, Audrius Alkauskas, John L. Lyons, Anderson Janotti, and Chris G. Van de Walle,
First-principles calculations of point defects for quantum technologies,
Annu. Rev. Mater. Res. 48, 2.1 (2018)
17. Bartomeu Monserrat, Cyrus E. Dreyer, Karin M. Rabe,
Phonon-assisted optical absorption in BaSnO3 from first principles,
Phys. Rev. B 97, 104310 (2018), arXiv:1709.09196
16. Richard C. Cramer, Bastien Bonef, John English, Cyrus E. Dreyer, Chris G. Van de Walle, and James S. Speck,
Growth of coherent BGaN films using BBr3 gas as a boron source in plasma assisted molecular beam epitaxy,
J. Vac. Sci. Technol. A 35, 041509 (2017)
15. Jimmy-Xuan Shen, Darshana Wickramaratne, Cyrus E. Dreyer, Audrius Alkauskas, Erin Young, James S. Speck, and Chris G. Van de Walle,
Calcium as a nonradiative recombination center in InGaN,
Appl. Phys. Express, 10, 021001 (2017)
14. Darshana Wickramaratne, Jimmy-Xuan Shen, Cyrus E. Dreyer, Manuel Engel, Martijn Marsman, Georg Kresse, Saulius Marcinkevicius, Audrius Alkauskas, and Chris G. Van de Walle,
Iron as a source of efficient Shockley-Read-Hall recombination in GaN,
Applied Physics Letters 109, 162107 (2016)
13. Kevin R. Bagnall, Cyrus E. Dreyer, David Vanderbilt, and Evelyn N. Wang,
Electric Field Dependence of Optical Phonon Frequencies in Wurtzite GaN Observed in GaN High Electron Mobility Transistors,
Journal of Applied Physics 120, 155104 (2016)
12. Hiral D. Tailor, John L. Lyons, Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Impact of nitrogen and carbon on defect equilibrium in ZrO2,
Acta Materialia 117, 286 (2016)
11. Cyrus E. Dreyer, Anderson Janotti, Chris G. Van de Walle, and David Vanderbilt,
Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides,
Physical Review X 6, 021038 (2016), arXiv:1605.07629
10. Audrius Alkauskas, Cyrus E. Dreyer, John L. Lyons, and Chris G. Van de Walle,
Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors,
Physical Review B 93, 201304(R) (2016), Editor’s Suggestion, arXiv:1605.05673
9. Cyrus E. Dreyer, Audrius Alkauskas, John L. Lyons, James S. Speck, and Chris G. Van de Walle,
Gallium vacancy complexes as a cause of Shockley-Read-Hall recombination in III-nitride light emitters,
Applied Physics Letters 108, 141101 (2016), Selected for feature article and issue cover
8. Patrick M. McBride, Anderson Janotti, Cyrus E. Dreyer, Burak Himmetoglu, and Chris G. Van de Walle,
Effects of biaxial stress and layer thickness on octahedral tilts in LaNiO3,
Applied Physics Letters 107, 261901 (2015)
7. Karthik Krishnaswamy, Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
First-principles study of surface charging in LaAlO3/SrTiO3 heterostructures,
Physical Review B 92, 085420 (2015)
6. Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations,
Applied Physics Letters 106, 212103 (2015)
5. Karthik Krishnaswamy, Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Structure and energetics of LaAlO3 (001) surfaces.
Physical Review B 90, 235436 (2014)
4. Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Band alignments and polarization properties of BN polymorphs,
Applied Physics Express 7, 031001 (2014)
3. Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Absolute surface energies of polar and nonpolar planes of wurtzite GaN,
Phys. Rev. B 89, 081305(R) (2014) Editor’s Suggestion
2. Cyrus E. Dreyer, Anderson Janotti, and Chris G. Van de Walle,
Effects of strain on the electron effective mass in GaN and AlN,
Applied Physics Letters 102, 142105 (2013)
1. Cyrus E. Dreyer, William V. Chiu, Robert H. Wagoner, and Sean R. Agnew,
Formability of a More Randomly Textured Magnesium Alloy Sheet: Application of an Improved Warm Sheet Formability Test,
Journal of Materials Processing Technology 210, 37 (2010)
Research Module
C. E. Dreyer and C. G. Van de Walle,
Point Defects and Impurities in III-Nitride Bulk and Thin Film Heterostructures,
Reference Modules in Materials Science and Materials Engineering, edited by S. Hashmi (Elsevier, Oxford, 2016), pp. 1-8.
