Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling

par Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero
Publié 2021

Electrostatic potential and valence modulation in La0.7Sr0.3MnO3 thin films

par Robbyn Trappen, A. C. Garcia-Castro, Vu Thanh Tra, Chih-Yeh Huang, Wilfredo Ibarra-Hernandez, James Fitch, Sobhit Singh, Jinling Zhou, Guerau Cabrera, Ying-Hao Chu, James M. LeBeau, Aldo H. Romero, Mikel B. Holcomb
Publié 2018