TY - JOUR
AU - 
AB - fmats-07-00060 March 21, 2020 Time: 12:31 # 1 ORIGINAL RESEARCH published: 24 March 2020 doi: 10.3389/fmats.2020.00060 Strain-Induced Modulation of Spin Configuration in LaCoO 1 1 2 3 3 3 Linxia Wang , Jieyu Liu , Minghui Wu , Hanming Wu , Kaixiang Li , Yuankai Shao , 3 1 Zhenguo Li and Weichao Wang * * College of Electronic Information and Optical Engineering, Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Renewable Energy Conversion and Storage Center, Nankai University, Tianjin, China, Center for Advanced Marine Materials and Smart Sensors, Minjiang University, Fuzhou, China, National Engineering Laboratory for Mobile Source Emission Control Technology, China Automotive Technology and Research Center, Tianjin, China For oxides with octahedron ligand field, such as perovskite, spinel, and mullite, unit occupancy of e orbital plays a key role in governing the catalytic performance of oxygen redox in the application of renewable energy storage and conversion. The magnetic configurations greatly influence the e occupancy of these oxides. In this work, using the perovskite LaCoO as an example, we use density functional theory (DFT) calculations Edited by: to achieve an intermediate spin configuration corresponding to unit-like e occupancy Zhenhai Xia, via strain schemes. We determined that 
TI - Strain-Induced Modulation of Spin Configuration in LaCoO3
JF - Frontiers in Materials
DO - 10.3389/fmats.2020.00060
DA - 2020-03-24
UR - https://www.deepdyve.com/lp/unpaywall/strain-induced-modulation-of-spin-configuration-in-lacoo3-1FQwXVAa0X
DP - DeepDyve
ER -