IRG 1 - Designing Functionality into Layered Ferroics

IRG1 combines expertise in materials theory and simulation, materials synthesis, and physical property characterization to predict, discover, and characterize new ferroics with unprecedented properties based on layered oxides.

Leader:  Venkatraman Gopalan

Description

IRG1, Designing Functionality into Layered Ferroics has, at its core, a Materials-by-Design challenge to design and discover multifunctional complex oxides starting from the level of atoms. The goal is to exploit the rich design space offered by layered oxides to poise them with competing coexistence of diverse polar, electronic, magnetic, and optical phenomena.  An unprecedented expansion of ferroic families in layered oxides – a vast and largely unexplored materials class with unique control knobs in cationic chemistry, connectivity, and geometry – will enable us to counterpoise competing phases with colossal properties to transform otherwise nonpolar materials into strongly polar ones and will couple polar order parameter with metallicity, magnetism, correlated electronic phenomena, and optical transparency.  Group theory, materials informatics, first-principles DFT, model Hamiltonians, and phase-field modeling will predict new ferroic systems and guide experimental efforts. Potential new technologies include high-temperature piezoelectrics, high-frequency tunable dielectrics for 5G networks, photovoltaics, and electric field control of metal-insulator transitions and magnetism.

Recent Accomplishments:

  • Designed and Discovered many new families of noncentrosymmetric layered oxides. (Mayer, Adv. Functional Materials (2014), SenGupta, Adv. Electronic Material (2016), Benedek, Rondinelli, Dalton Transactions (2015), Young, Dalton Transactions (2015)), Li, Adv. Materials (2015)).
  • Discovery of a new antisymmetry of motion and distortion of materials, (Vanleeuwen (2015)).
  • Introduced a new paradigm for achieving optical transparency in correlated metals. (Zhang, Nature Materials, 2016).
  • Discovered new polar vortex states in oxide superlattices (Yadav, Nature, 2016).
  • Discovery of a low symmetry metastable phase with large property enhancements in classic ferroelectric crystals, BaTiO3 and KNbO3. (Lummen, Nature Commun., 2014).
  • Discovery of a new family of improper acentric layered oxides, NaRETiO4, though oxygen octahedral rotations (Akamatsu, Phys. Rev. Lett., 2014).
  • Prediction and discovery of a Ruddlesden-Popper layered ferroic with the highest figure of merit for dielectric tuning ever reported. (Lee, Nature, 2013).
  • Three multiferroic mechanisms were discovered by our prior IRG team (2008-2014): Spin-phonon coupling (Nature 466,  954 (2010)), Coupled JT and DM interactions (Phys. Rev. Lett. 100, 167203 (2008)), and Hybrid improper multiferroics (Phys. Rev. Lett. 106, 107204 (2011)).

Publication

125.     Roth, J.; Arriaga, E.; Brahlek, M.; Lapano, J.; Engel-Herbert, R. Temperature-Dependent Growth Window of CaTiO3 Films Grown by Hybrid Molecular Beam Epitaxy. J. Vac. Sci. Technol. A 2018, 36 (2), 020601. DOI: 10.1116/1.5011384

124.     Shi, Y.; Xue, F.; Chen, L. Q. Ginzburg-Landau Theory of Metal-Insulator Transition in VO2: The Electronic Degrees of Freedom. EPL 2018, 120 (4), 46003. DOI: 10.1209/0295-5075/120/46003

123.     Shafer, P.; Garcia-Fernandez, P.; Aguado-Puente, P.; Damodaran, A. R.; Yadav, A. K.; Nelson, C. T.; Hsu, S.-L.; Wojdel, J. C.; Iniguez, J.; Martin, L. W.; Arenholz, E.; Junquera, J.; Ramesh, R. Emergent Chirality in the Electric Polarization Texture of Titanate Superlattices. Proc. Natl. Acad. Sci. USA 2018, 115 (5), 915–920. DOI: 10.1073/pnas.1711652115

122.     Kim, K.-E.; Jeong, S.; Chu, K.; Lee, J. H.; Kim, G.-Y.; Xue, F.; Koo, T.-Y.; Chen, L. Q.; Choi, S.-Y.; Ramesh, R.; Yang, C. -H.. Configurable Topological Textures in Strain Graded Ferroelectric Nanoplates. Nat Comms 2018, 9 (1), 403. DOI: 10.1038/s41467-017-02813-5

121.     Xue, F.; Wang, N.; Wang, X.; Ji, Y.; Cheong, S.-W.; Chen, L. Q. Topological Dynamics of Vortex-Line Networks in Hexagonal Manganites. Phys. Rev. B 2018, 97 (2), 020101. DOI: 10.1103/PhysRevB.97.020101

120.     Zhang, L.; Yuan, Y.; Lapano, J.; Brahlek, M.; Lei, S.; Kabius, B.; Gopalan, V.; Engel-Herbert, R. Continuously Tuning Epitaxial Strains by Thermal Mismatch. ACS Nano 2018, 12 (2), 1306–1312. DOI: 10.1021/acsnano.7b07539

119.     Kim, S. W.; Emge, T. J.; Deng, Z.; Uppuluri, R.; Collins, L.; Lapidus, S. H.; Segre, C. U.; Croft, M.; Jin, C.; Gopalan, V.; Kalinin, S. V.; Greenblatt, M. YCrWO6: Polar and Magnetic Oxide with CaTa2O6-Related Structure. Chem. Mater. 2018, 30 (3), 1045–1054. DOI: 10.1021/acs.chemmater.7b04941

118.     Park, S. M.; Wang, B.; Das, S.; Chae, S. C.; Chung, J.-S.; Yoon, J.-G.; Chen, L. Q.; Yang, S. M.; Noh, T. W. Selective Control of Multiple Ferroelectric Switching Pathways Using a Trailing Flexoelectric Field. Nature Nanotech 2018, 5, 963. DOI: 10.1038/s41565-018-0083-5

117.     Lu, H.; Lee, D.; Klyukin, K.; Tao, L.; Wang, B.; Lee, H.; Lee, J.; Paudel, T. R.; Chen, L. Q.; Tsymbal, E. Y.; Alexandrov, V.; Eom, C. -B.; Gruverman, A. Tunneling Hot Spots in Ferroelectric SrTiO3. Nano Lett. 2017, 18 (1), 491–497. DOI: 10.1021/acs.nanolett.7b04444

116.     Li, M.-R.; McCabe, E. E.; Stephens, P. W.; Croft, M.; Collins, L.; Kalinin, S. V.; Deng, Z.; Retuerto, M.; Gupta, A.; Padmanabhan, H.; Gopalan, V.; Grams, C. P.; Hemberger, J.; Orlandi, F.; Manuel, P.; Li, W. -M.; Jin, C. -Q.; Walker, D.; Greenblatt, M. Magnetostriction-Polarization Coupling in Multiferroic Mn2MnWO6. Nat Comms 2017, 8 (1), 2037. DOI: 10.1038/s41467-017-02003-3

115.     Zhang, Q.; Xie, L.; Liu, G.; Prokhorenko, S.; Nahas, Y.; Pan, X.; Bellaiche, L.; Gruverman, A.; Valanoor, N. Nanoscale Bubble Domains and Topological Transitions in Ultrathin Ferroelectric Films. Adv. Mater. 2017, 29 (46), 1702375. DOI: 10.1002/adma.201702375

114.     Eaton, C.; Lapano, J.; Zhang, L.; Brahlek, M.; Engel-Herbert, R. Self-Regulated Growth of CaVO3 By Hybrid Molecular Beam Epitaxy. J. Vac. Sci. Technol. A 2017, 35 (6), 061510. DOI: 10.1116/1.5001341

113.     Smith, E. H.; King, P. D. C.; Soukiassian, A.; Ast, D. G.; Schlom, D. G. Hybrid Reflections From Multiple X-Ray Scattering in Epitaxial Oxide Films. Appl. Phys. Lett. 2017, 111 (13), 131903. DOI: 10.1063/1.4993477

112.     Xue, F.; Wang, X.; Shi, Y.; Cheong, S.-W.; Chen, L. Q. Strain-Induced Incommensurate Phases in Hexagonal Manganites. Phys. Rev. B 2017, 96 (10), 104109. DOI: 10.1103/PhysRevB.96.104109

111.     Gou, G.; Charles, N.; Shi, J.; Rondinelli, J. M. A-Site Ordered Double Perovskite CaMnTi2O6 As a Multifunctional Piezoelectric and Ferroelectric–Photovoltaic Material. Inorg. Chem. 2017, 56 (19), 11854–11861. DOI: 10.1021/acs.inorgchem.7b01854

110.     Padmanabhan, H.; Kingsland, M.; Munro, J.; Litvin, D.; Gopalan, V. Spatio-Temporal Symmetry—Point Groups with Time Translations. Symmetry 2017, 9 (12), 187. DOI: 10.3390/sym9090187

109.     Lee, D.; Lee, J.; Song, K.; Xue, F.; Choi, S.-Y.; Ma, Y.; Podkaminer, J.; Liu, D.; Liu, S.-C.; Chung, B.; Fan, W.; Cho, S. J.; Zhou, W.; Lee, J.; Chen, L. Q.; Oh, S. H.; Ma, Z.; Eom, C. -B. Sharpened VO2 Phase Transition via Controlled Release of Epitaxial Strain. Nano Lett. 2017, 17 (9), 5614–5619. DOI: 10.1021/acs.nanolett.7b02482

108.     Damodaran, A. R.; Clarkson, J. D.; Hong, Z.; Liu, H.; Yadav, A. K.; Nelson, C. T.; Hsu, S. L.; McCarter, M. R.; Park, K. D.; Kravtsov, V.; Farhan, A.; Dong, Y.; Cai, Z.; Zhou, H.; Aguado-Puente, P.; García-Fernández, P.; íñiguez, J.; Junquera, J.; Scholl, A.; Raschke, M. B.; Chen, L. Q.; Fong, D. D.; Ramesh, R.; Martin, L. W. Phase Coexistence and Electric-Field Control of Toroidal Order in Oxide Superlattices. Nature Materials 2017, 16 (10), 1003–1009. DOI: 10.1038/nmat4951

107.     Miao, L.; Mukherjee, D.; Stone, G.; Alem, N. Statistical Measurement of Polar Displacements in Complex Oxides. Microsc. microanal. 2017, 23 (S1), 1660–1661. DOI: 10.1017/S1431927617008960

106.     Smith, E. H.; Ihlefeld, J. F.; Heikes, C. A.; Paik, H.; Nie, Y.; Adamo, C.; Heeg, T.; Liu, Z.-K.; Schlom, D. G. Exploiting Kinetics and Thermodynamics to Grow Phase-Pure Complex Oxides by Molecular-Beam Epitaxy Under Continuous Codeposition. Phys. Rev. Materials 2017, 1 (2), 023403. DOI: 10.1103/PhysRevMaterials.1.023403

105.     Xue, F.; Ji, Y.; Chen, L. Q. Theory of Strain Phase Separation and Strain Spinodal: Applications to Ferroelastic and Ferroelectric Systems. Acta Materialia 2017, 133, 147–159. DOI: 10.1016/j.actamat.2017.05.028

104.     Lummen, T. T. A.; Leung, J.; Kumar, A.; Wu, X.; Ren, Y.; VanLeeuwen, B. K.; Haislmaier, R. C.; Holt, M.; Lai, K.; Kalinin, S. V.; Gopalan, V. Emergent Low-Symmetry Phases and Large Property Enhancements in Ferroelectric KNbO3 Bulk Crystals. Adv. Mater. 2017, 29 (31), 1700530. DOI: 10.1002/adma.201700530

103.     Xie, L.; Li, L.; Heikes, C. A.; Zhang, Y.; Hong, Z.; Gao, P.; Nelson, C. T.; Xue, F.; Kioupakis, E.; Chen, L. Q.; Schlom, D. G.; Wang, P.; Pan, X. Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering. Adv. Mater. 2017, 29 (30), 1701475. DOI: 10.1002/adma.201701475

102.     Li, L.; Zhang, Y.; Xie, L.; Jokisaari, J. R.; Beekman, C.; Yang, J.-C.; Chu, Y.-H.; Christen, H. M.; Pan, X. Atomic-Scale Mechanisms of Defect-Induced Retention Failure in Ferroelectrics. Nano Lett. 2017, 17 (6), 3556–3562. DOI: 10.1021/acs.nanolett.7b00696

101.     Karpinsky, D. V.; Eliseev, E. A.; Xue, F.; Silibin, M. V.; Franz, A.; Glinchuk, M. D.; Troyanchuk, I. O.; Gavrilov, S. A.; Gopalan, V.; Chen, L. Q.; Morozovska, A. N. Thermodynamic Potential and Phase Diagram for Multiferroic Bismuth Ferrite (BiFeO3). npj Computational Materials 2017, 3, 20. DOI: 10.1038/s41524-017-0021-3

100.     Keech, R.; Morandi, C.; Wallace, M.; Esteves, G.; Denis, L.; Guerrier, J.; Johnson-Wilke, R. L.; Fancher, C. M.; Jones, J. L.; Trolier-McKinstry, S. Thickness-Dependent Domain Wall Reorientation in 70/30 Lead Magnesium Niobate- Lead Titanate Thin Films. J. Am. Ceram. Soc. 2017, 100 (9), 3961–3972. DOI: 10.1111/jace.14927

99.        Damodaran, A. R.; Pandya, S.; Qi, Y.; Hsu, S.-L.; Liu, S.; Nelson, C.; Dasgupta, A.; Ercius, P.; Ophus, C.; Dedon, L. R.; Agar, J. C.; Lu, H.; Zhang, J.; Minor, A. M.; Rappe, A. M.; Martin, L. W. Large Polarization Gradients and Temperature-Stable Responses in Compositionally-Graded Ferroelectrics. Nat Comms 2017, 8, 14961. DOI: 10.1038/ncomms14961

98.        Zhang, H.-T.; Brahlek, M.; Ji, X.; Lei, S.; Lapano, J.; Freeland, J. W.; Gopalan, V.; Engel-Herbert, R. High-Quality LaVO3 Films as Solar Energy Conversion Material. ACS Appl. Mater. Interfaces 2017, 9 (14), 12556–12562. DOI: 10.1557/jmr.2016.259

97.        Tang, Y. L.; Zhu, Y. L.; Hong, Z. J.; Eliseev, E. A.; Morozovska, A. N.; Wang, Y. J.; Liu, Y.; Xu, Y. B.; Wu, B.; Chen, L. Q.; Pennycook, S. J.; Ma, X. L. 3D Polarization Texture of a Symmetric 4-Fold Flux Closure Domain in Strained Ferroelectric PbTiO3 Films. J. Mater. Res. 2017, 32 (05), 957–967. DOI: 10.1557/jmr.2016.259

96.        Pohlmann, H.; Wang, J.-J.; Wang, B.; Chen, L. Q. A Thermodynamic Potential and the Temperature-Composition Phase Diagram for Single-Crystalline K1-XNaXNbO3 (0 ≤ X ≤ 0.5). Appl. Phys. Lett. 2017, 110 (10), 102906. DOI: 10.1063/1.4978360

95.        Hong, Z.; Damodaran, A. R.; Xue, F.; Hsu, S.-L.; Britson, J.; Yadav, A. K.; Nelson, C. T.; Wang, J.-J.; Scott, J. F.; Martin, L. W.; Ramesh, R.; Chen, L. Q. Stability of Polar Vortex Lattice in Ferroelectric Superlattices. Nano Lett. 2017, 17 (4), 2246–2252. DOI: 10.1021/acs.nanolett.6b04875

94.        Young, J.; Moon, E. J.; Mukherjee, D.; Stone, G.; Gopalan, V.; Alem, N.; May, S. J.; Rondinelli, J. M. Polar Oxides Without Inversion Symmetry Through Vacancy and Chemical Order. J. Am. Chem. Soc. 2017, 139 (7), 2833–2841. DOI: 10.1021/jacs.6b10697

93.        Young, J.; Lookman, T.; Balachandran, P. V.; Rondinelli, J. M. Learning from Data to Design Functional Materials Without Inversion Symmetry. Nat Comms 2017, 8, 1–13. DOI: 10.1038/ncomms14282

92.        Laguta, V. V.; Kamba, S.; Maryško, M.; Andrzejewski, B.; Kachlík, M.; Maca, K.; Lee, J. H.; Schlom, D. G. Magnetic Resonance Study of Bulk and Thin Film EuTiO3. J. Phys.: Condens. Matter 2017, 29 (10), 105401. DOI: 10.1088/1361-648X/aa58c6

91.        Keech, R.; Ye, L.; Bosse, J. L.; Esteves, G.; Guerrier, J.; Jones, J. L.; Kuroda, M. A.; Huey, B. D.; Trolier-McKinstry, S. Declamped Piezoelectric Coefficients in Patterned 70/30 Lead Magnesium Niobate-Lead Titanate Thin Films. Adv. Funct. Mater. 2017, 27 (9), 1605014. DOI: 10.1002/adfm.201605014

90.        Xu, K.; Lu, X.-Z.; Xiang, H. Designing New Ferroelectrics with a General Strategy. npj Quant Mater 2017, 2 (1), 0001. DOI: 10.1038/s41535-016-0001-8

89.        Gupta, A. S.; Akamatsu, H.; Brown, F. G.; Nguyen, M. A. T.; Strayer, M. E.; Lapidus, S.; Yoshida, S.; Fujita, K.; Tanaka, K.; Tanaka, I.; Mallouk, T. E.; Gopalan, V. Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity. Chem. Mater. 2017, 29 (2), 656–665. DOI: 10.1021/acs.chemmater.6b04103

88.        Wang, T.; Pitike, K. C.; Yuan, Y.; Nakhmanson, S. M.; Gopalan, V.; Jalan, B. Chemistry, Growth Kinetics, and Epitaxial Stabilization of Sn2+ In Sn-Doped SrTiO3 Using (CH3)6Sn2 Tin Precursor. APL Materials 2016, 4 (12), 126111. DOI: 10.1063/1.4972995

87.        Gou, G.; Young, J.; Liu, X.; Rondinelli, J. M. Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing a Polar Halide Perovskite for Photovoltaic Applications. Inorg. Chem. 2016, 56 (1), 26–32. DOI: 10.1021/acs.inorgchem.6b01701

86.        Lu, X.-Z.; Rondinelli, J. M. Room Temperature Electric-Field Control of Magnetism in Layered Oxides with Cation Order. Adv. Funct. Mater. 2016, 27 (4), 1604312. DOI: 10.1002/adfm.201604312

85.        Xue, F.; Li, Y.; Gu, Y.; Zhang, J.; Chen, L. Q. Strain Phase Separation: Formation of Ferroelastic Domain Structures. Phys. Rev. B 2016, 94 (22), 220101. DOI: 10.1103/PhysRevB.94.220101

84.        Huang, H.-H.; Hong, Z.; Xin, H. L.; Su, D.; Chen, L. Q.; Huang, G.; Munroe, P. R.; Valanoor, N. Nanoscale Origins of Ferroelastic Domain Wall Mobility in Ferroelectric Multilayers. ACS Nano 2016, 10 (11), 10126–10134. DOI: 10.1021/acsnano.6b05180

83.        Hsieh, Y.-H.; Xue, F.; Yang, T.; Liu, H.-J.; Zhu, Y.; Chen, Y.-C.; Zhan, Q.; Duan, C.-G.; Chen, L. Q.; He, Q.; Chu, Y. -H. Permanent Ferroelectric Retention of BiFeO3 Mesocrystal. Nat Comms 2016, 7, 13199. DOI: 10.1038/ncomms13199

82.        Lin, Y.-C.; DeLello, K.; Zhang, H.-T.; Zhang, K.; Lin, Z.; Terrones, M.; Engel-Herbert, R.; Robinson, J. A. Photoluminescence of Monolayer Transition Metal Dichalcogenides Integrated with VO2. J. Phys.: Condens. Matter 2016, 28 (50), 504001. DOI: 10.1088/0953-8984/28/50/504001

81.        Lei, S.; Koo, T.-Y.; Cao, W.; Eliseev, E. A.; Morozovska, A. N.; Cheong, S. W.; Gopalan, V. Quantitative Lateral and Vertical Piezoresponse Force Microscopy on a PbTiO3 Single Crystal. J. Appl. Phys. 2016, 120 (12), 124106. DOI: 10.1063/1.4963750

80.        Xue, F.; Li, L.; Britson, J.; Hong, Z.; Heikes, C. A.; Adamo, C.; Schlom, D. G.; Pan, X.; Chen, L. Q. Switching the Curl of Polarization Vectors by an Irrotational Electric Field. Phys. Rev. B 2016, 94 (10), 100103. DOI: 10.1103/PhysRevB.94.100103

79.        Barnes, A.; Haneef, H.; Schlom, D. G.; Podraza, N. J. Optical Band Gap and Infrared Phonon Modes of (La0.29Sr0.71)(Al0.65Ta0.36)O3 (LSAT) Single Crystal From Infrared to Ultraviolet Range Spectroscopic Ellipsometry. Opt. Mater. Express 2016, 6 (10), 3210–3216. DOI: 10.1364/OME.6.003210

78.        Huang, L.-F.; Lu, X.-Z.; Rondinelli, J. M. Tunable Negative Thermal Expansion in Layered Perovskites From Quasi-Two-Dimensional Vibrations. Phys. Rev. Lett. 2016, 117 (11), 115901. DOI: 10.1103/PhysRevLett.117.115901

77.        Brahlek, M.; Zhang, L.; Zhang, H.-T.; Lapano, J.; Dedon, L. R.; Martin, L. W.; Engel-Herbert, R. Mapping Growth Windows in Quaternary Perovskite Oxide Systems by Hybrid Molecular Beam Epitaxy. Appl. Phys. Lett. 2016, 109 (10), 101903. DOI: 10.1063/1.4962388

76.        Stone, G.; Ophus, C.; Birol, T.; Ciston, J.; Lee, C.-H.; Wang, K.; Fennie, C. J.; Schlom, D. G.; Alem, N.; Gopalan, V. Atomic Scale Imaging of Competing Polar States in a Ruddlesden-Popper Layered Oxide. Nat Comms 2016, 7, 12572. DOI: 10.1038/ncomms12572

75.        Lee, D.; Gopalan, V.; Phillpot, S. R. Depinning of the Ferroelectric Domain Wall in Congruent LiNbO3. Appl. Phys. Lett. 2016, 109 (8), 082905. DOI: 10.1063/1.4961614

74.        Quackenbush, N. F.; Paik, H.; Wahila, M. J.; Sallis, S.; Holtz, M. E.; Huang, X.; Ganose, A.; Morgan, B. J.; Scanlon, D. O.; Gu, Y.; Xue, F.; Chen, L. Q.; Sterbinsky, G. E.; Schlueter, C.; Lee, T. L.; Woicik, J. C.; Guo, J. H.; Brock, J. D.; Muller, D. A.; Arena, D. A.; Schlom, D. G.; Piper, L. F. J. Stability of the M2 Phase of Vanadium Dioxide Induced by Coherent Epitaxial Strain. Phys. Rev. B 2016, 94 (8), 085105. DOI: 10.1103/PhysRevB.94.085105

73.        Mukherjee, D.; Stone, G.; Wang, K.; Gopalan, V.; Alem, N. Aberration Corrected STEM Imaging of Domain Walls in Congruent LiNbO3. Microsc. microanal. 2016, 22 (S3), 914–915. DOI: 10.1017/S1431927616005419

72.        Liu, G.; Zhang, Q.; Huang, H.-H.; Munroe, P.; Nagarajan, V.; Simons, H.; Hong, Z.; Chen, L. Q. Reversible Polarization Rotation in Epitaxial Ferroelectric Bilayers. Adv. Mater. Interfaces 2016, 3 (18), 1600444. DOI: 10.1002/admi.201600444

71.        Zhang, H.-T.; Guo, L.; Stone, G.; Zhang, L.; Zheng, Y.-X.; Freeman, E.; Keefer, D. W.; Chaudhuri, S.; Paik, H.; Moyer, J. A.; Barth, M.; Schlom, D. G.; Badding, J. V.; Datta, S.; Gopalan, V.; Engel-Herbert, R. Imprinting of Local Metallic States Into VO2 With Ultraviolet Light. Adv. Funct. Mater. 2016, 26 (36), 6612–6618. DOI: 10.1002/adfm.201601890

70.      Huang, L.-F.; Lu, X.-Z.; Tennessen, E.; Rondinelli, J. M. An Efficient Ab-Initio Quasiharmonic Approach for the Thermodynamics of Solids. Computational Materials Science 2016, 120, 84–93. DOI: 10.1016/j.commatsci.2016.04.012

69.      Lu, X.-Z.; Rondinelli, J. M. Epitaxial-Strain-Induced Polar-to-Nonpolar Transitions in Layered Oxides. Nature Materials 2016, 15 (9), 951–955. DOI: 10.1038/nmat4664

68.      Gopalan, V.; Engel-Herbert, R. Creative Tension in Layered Crystals. Nature Materials 2016, 15 (9), 928–930. DOI: 10.1038/nmat4662

67.      Yi, D.; Liu, J.; Hsu, S.-L.; Zhang, L.; Choi, Y.; Kim, J.-W.; Chen, Z.; Clarkson, J. D.; Serrao, C. R.; Arenholz, E.; Ryan, P. J.; Xu, H.; Birgeneau, R. J. Ramesh, R. Atomic-Scale Control of Magnetic Anisotropy via Novel Spin–Orbit Coupling Effect in La2/3Sr1/3MnO3/SrIrO3 Superlattices. Proc. Natl. Acad. Sci. USA 2016, 113 (23), 6397–6402. DOI: 10.1073/pnas.1524689113

66.      Huang, F. T.; Xue, F.; Gao, B.; Wang, L. H.; Luo, X.; Cai, W.; Lu, X. Z.; Rondinelli, J. M.; Chen, L. Q.; Cheong, S. W. Domain Topology and Domain Switching Kinetics in a Hybrid Improper Ferroelectric. Nat. Comms. 2016, 7, 11602. DOI: 10.1038/ncomms11602

65.        Li, L.; Britson, J.; Jokisaari, J. R.; Zhang, Y.; Adamo, C.; Melville, A.; Schlom, D. G.; Chen, L. Q.; Pan, X. Giant Resistive Switching via Control of Ferroelectric Charged Domain Walls. Adv. Mater. 2016, 28 (31), 6574–6580. DOI: 10.1002/adma.201600160

64.        Li, M.-R.; Retuerto, M.; Stephens, P. W.; Croft, M.; Sheptyakov, D.; Pomjakushin, V.; Deng, Z.; Akamatsu, H.; Gopalan, V.; Sánchez-Benítez, J.; Saouma, F. O.; Jang, J. I.; Walker, D.; Greenblatt, M. Low-Temperature Cationic Rearrangement in a Bulk Metal Oxide. Angew. Chem. Int. Ed. 2016, 55 (34), 9862–9867. DOI: 10.1002/anie.201511360

63.        Stoumpos, C. C.; Cao, D. H.; Clark, D. J.; Young, J.; Rondinelli, J. M.; Jang, J. I.; Hupp, J. T.; Kanatzidis, M. G. Ruddlesden–Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors. Chem. Mater. 2016, 28 (8), 2852–2867. DOI: 10.1021/acs.chemmater.6b00847

62.        Hu, J.-M.; Yang, T.; Momeni, K.; Cheng, X.; Chen, L.; Lei, S.; Zhang, S.; Trolier-McKinstry, S.; Gopalan, V.; Carman, G. P.; Nan, C.-W.; Chen, L. Q. Fast Magnetic Domain-Wall Motion in a Ring-Shaped Nanowire Driven by a Voltage. Nano Lett. 2016, 16 (4), 2341–2348. DOI: 10.1021/acs.nanolett.5b05046

61.        Johnson-Wilke, R. L.; Wilke, R. H. T.; Yeager, C. B.; Tinberg, D. S.; Reaney, I. M.; Levin, I.; Fong, D. D.; Trolier-McKinstry, S. Erratum: “Phase Transitions and Octahedral Rotations in Epitaxial Ag(TaXNb1−X)O3 Thin Films Under Tensile Strain” [J. Appl. Phys. 117, 085309 (2015)]. J. Appl. Phys. 2016, 119 (8), 089901. DOI: 10.1063/1.4942820

60.        Young, J.; Rondinelli, J. M. Octahedral Rotation Preferences in Perovskite Iodides and Bromides. J. Phys. Chem. Lett. 2016, 7 (5), 918–922. DOI: 10.1021/acs.jpclett.6b00094

59.        Garten, L. M.; Burch, M.; Gupta, A. S.; Haislmaier, R.; Gopalan, V.; Dickey, E. C.; Trolier-McKinstry, S. Relaxor Ferroelectric Behavior in Barium Strontium Titanate. J. Am. Ceram. Soc. 2016, 99 (5), 1645–1650. DOI: 10.1111/jace.14109

58.        Strayer, M. E.; Gupta, A. S.; Akamatsu, H.; Lei, S.; Benedek, N. A.; Gopalan, V.; Mallouk, T. E. Emergent Noncentrosymmetry and Piezoelectricity Driven by Oxygen Octahedral Rotations in N= 2 Dion-Jacobson Phase Layer Perovskites. Adv. Funct. Mater. 2016, 26 (12), 1930–1937. DOI: 10.1002/adfm.201504046

57.        Yadav, A. K.; Nelson, C. T.; Hsu, S. L.; Hong, Z.; Clarkson, J. D.; Schlepütz, C. M.; Damodaran, A. R.; Shafer, P.; Arenholz, E.; Dedon, L. R.; Chen, D.; Vishwanath, A.; Minor, A.M.; Chen, L. Q.; Scott, J. F.; Martin, L. W.; Ramesh, R. Observation of Polar Vortices in Oxide Superlattices. Nature 2016, 530 (7589), 198–201. DOI: 10.1038/nature16463

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