Fichtner, S., Wolff, N., Lofink, F., Kienle, L. & Wagner, B. AlScN: a III-V semiconductor based ferroelectric. J. Appl. Phys. 125, 114103 (2019).
Google Scholar
Hayden, J. et al. Ferroelectricity in boron-substituted aluminum nitride thin films. Phys. Rev. Mater. 5, 044412 (2021).
Google Scholar
Ferri, K. et al. Ferroelectrics everywhere: ferroelectricity in magnesium substituted zinc oxide thin films. J. Appl. Phys. 130, 044101 (2021).
Google Scholar
Hopkins, P. E. & Piekos, E. S. Lower limit to phonon thermal conductivity of disordered, layered solids. Appl. Phys. Lett. 94, 181901 (2009).
Google Scholar
Song, Y. et al. Thermal conductivity of aluminum scandium nitride for 5G mobile applications and beyond. ACS Appl. Mater. Interfaces 13, 19031–19041 (2021).
Google Scholar
Dawber, M. & Bousquet, E. New developments in artificially layered ferroelectric oxide superlattices. MRS Bull. 38, 1048–1055 (2013).
Google Scholar
Stutzmann, M. et al. Playing with polarity. Phys. Status Solidi B 228, 505–512 (2001).
Google Scholar
Weyher, J. L., Müller, S., Grzegory, I. & Porowski, S. Chemical polishing of bulk and epitaxial GaN. J. Cryst. Growth 182, 17–22 (1997).
Google Scholar
Rouviere, J. L., Weyher, J. L., Seelmann-Eggebert, M. & Porowski, S. Polarity determination for GaN films grown on (0001) sapphire and high-pressure-grown GaN single crystals. Appl. Phys. Lett. 73, 668–670 (1998).
Google Scholar
Zhu, W. et al. Wake-up in Al1−xBxN ferroelectric films. Adv. Electron. Mater. 8, 2100931 (2022).
Google Scholar
Denev, S. A., Lummen, T. T. A., Barnes, E., Kumar, A. & Gopalan, V. Probing ferroelectrics using optical second harmonic generation. J. Am. Ceram. Soc. 94, 2699–2727 (2011).
Google Scholar
Liu, T. et al. Challenges in double-beam laser interferometry measurements of fully released piezoelectric films. J. Appl. Phys. 131, 214102 (2022).
Google Scholar
Sivaramakrishnan, S., Mardilovich, P., Schmitz-Kempen, T. & Tiedke, S. Concurrent wafer-level measurement of longitudinal and transverse effective piezoelectric coefficients (d33,f and e31,f) by double beam laser interferometry. J. Appl. Phys. 123, 014103 (2018).
Google Scholar
Sivaramakrishnan, S. et al. Electrode size dependence of piezoelectric response of lead zirconate titanate thin films measured by double beam laser interferometry. Appl. Phys. Lett. 103, 132904 (2013).
Google Scholar
Zeltmann, S. E. et al. Disentangling Tilt and Polarization Measurements in 4D-STEM Measurements of a Multilayer by Inversion of a Stacked Bloch Wave Model. Microsc. Microanal. 29, 256–257 (2023).
Google Scholar
Wolff, N. et al. Demonstration and STEM analysis of ferroelectric switching in MOCVD-grown single crystalline Al0.85Sc0.15N. Adv. Phys. Res. 3, 2300113 (2024).
Google Scholar
Zhu, W. et al. Strongly temperature dependent ferroelectric switching in AlN, Al1−xScxN, and Al1−xBxN thin films. Appl. Phys. Lett. 119, 062901 (2021).
Google Scholar
Hasegawa, K., Shimizu, T., Ohsawa, T., Sakaguchi, I. & Ohashi, N. Full polarization reversal at room temperature in unsubstituted AlN. Appl. Phys. Lett. 123, 192903 (2023).
Google Scholar
Calderon, S. V et al. Atomic-scale polarization switching in wurtzite ferroelectrics. Science 380, 1034–1038 (2023).
Google Scholar
Liu, Z., Wang, X., Ma, X., Yang, Y. & Wu, D. Doping effects on the ferroelectric properties of wurtzite nitrides. Appl. Phys. Lett. 122, 122901 (2023).
Google Scholar
Lee, C.-W., Yazawa, K., Zakutayev, A., Brennecka, G. L. & Gorai, P. Switching it up: new mechanisms revealed in wurtzite-type ferroelectrics. Sci. Adv. 10, eadl0848 (2024).
Sarasamak, K., Kulkarni, A. J., Zhou, M. & Limpijumnong, S. Stability of wurtzite, unbuckled wurtzite, and rocksalt phases of SiC, GaN, InN, ZnO, and CdSe under loading of different triaxialities. Phys. Rev. B 77, 024104 (2008).
Google Scholar
Wang, J. et al. Molecular dynamics and density functional studies of a body-centered-tetragonal polymorph of ZnO. Phys. Rev. B 76, 172103 (2007).
Google Scholar
Giannozzi, P. et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. J. Phys. Condens. Matter 29, 465901 (2017).
Google Scholar
Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21, 395502 (2009).
Google Scholar
van Setten, M. J. et al. The PseudoDojo: training and grading a 85 element optimized norm-conserving pseudopotential table. Comput. Phys. Commun. 226, 39–54 (2018).
Google Scholar
Lejaeghere, K. et al. Reproducibility in density functional theory calculations of solids. Science 351, aad3000 (2016).
Google Scholar
Hamann, D. R. Optimized norm-conserving Vanderbilt pseudopotentials. Phys. Rev. B 88, 085117 (2013).
Google Scholar
Perdew, J. P. et al. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671–6687 (1992).
Google Scholar
Langreth, D. C. & Mehl, M. J. Beyond the local-density approximation in calculations of ground-state electronic properties. Phys. Rev. B 28, 1809–1834 (1983).
Google Scholar
Becke, A. D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 38, 3098–3100 (1988).
Google Scholar
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
Google Scholar
Rappe, A. M., Rabe, K. M., Kaxiras, E. & Joannopoulos, J. D. Optimized pseudopotentials. Phys. Rev. B 41, 1227–1230 (1990).
Google Scholar
Ramer, N. J. & Rappe, A. M. Designed nonlocal pseudopotentials for enhanced transferability. Phys. Rev. B 59, 12471–12478 (1999).
Google Scholar
Kang, X. et al. Enhanced dielectric and piezoelectric responses in Zn1−xMgxO thin films near the phase separation boundary. Appl. Phys. Lett. 110, 042903 (2017).
Wang, D. et al. Controlled ferroelectric switching in ultrawide bandgap AlN/ScAlN layers. Appl. Phys. Lett. 123, 103506 (2023).
Schulz, H. & Thiemann, K. H. Crystal structure refinement of AlN and GaN. Solid State Comm. 23, 815–819 (1977).
The Materials Project. Materials explorer: AlN. https://next-gen.materialsproject.org/materials/mp-13178?formula=AlN (accessed 17 December 2024).
Zhang, X. & Schleife, A. Nonequilibrium BN-ZnO: optical properties and excitonic effects from first principles. Phys. Rev. B 97, 125201 (2018).