First-principles calculation

Barrozo, P, D.R Småbråten, Y.-L Tang, B Prasad, S Saremi, R Ozgur, V Thakare, R.A Steinhardt, M.E Holtz, V.A Stoica, L.W Martin, D.G Schlom, S.M Selbach, and Ramamoorthy Ramesh. "Defect-Enhanced Polarization Switching in the Improper Ferroelectric LuFeO3." Advanced Materials (2020).

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Singh-Bhalla, G, P.B Rossen, G.K Pálsson, M Mecklenburg, T Orvis, S Das, Y.-L Tang, J.S Suresha, D Yi, A Dasgupta, D Doenning, V.G Ruiz, A.K Yadav, M Trassin, J.T Heron, C.S Fadley, R Pentcheva, J Ravichandran, and Ramamoorthy Ramesh. "Unexpected termination switching and polarity compensation in LaAlO 3 /SrTiO 3 heterostructures." Physical Review Materials 2 (2018).

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Zhang, J.X, Q He, M Trassin, W Luo, D Yi, M.D Rossell, P Yu, L You, C.H Wang, C.Y Kuo, J.T Heron, Z Hu, R.J Zeches, H.J Lin, A Tanaka, C.T Chen, L.H Tjeng, Y.-H Chu, and Ramamoorthy Ramesh. "Microscopic origin of the giant ferroelectric polarization in tetragonal-like BiFeO3." Physical Review Letters 107 (2011).

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