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4 papers · 2 filters
Importance of elastic finite-size effects: neutral defects in ionic compounds
P. A. Burr, M. W. D. Cooper
Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in…
Strain and Magnetic Field Induced Spin-Structure Transitions in Multiferroic BiFeO3
A. Agbelele, D. Sando, C. Toulouse +17
The magnetic-field-dependent spin ordering of strained BiFeO3 films is determined using nuclear resonant scattering and Raman spectroscopy. The critical field required to destroy t…
Towards visualisation of central-cell-effects in scanning-tunnelling-microscope images of subsurface dopant qubits in silicon
M. Usman, B. Voisin, J. Salfi +2
Atomic-scale understanding of phosphorous donor wave functions underpins the design and optimisation of silicon based quantum devices. The accuracy of large-scale theoretical metho…
Discovery of Intrinsic Quantum Anomalous Hall Effect in Organic Mn-DCA Lattice
Ya-ping Wang, Wei-xiao Ji, Chang-wen Zhang +6
The quantum anomalous Hall (QAH) phase is a novel topological state of matter characterized by a nonzero quantized Hall conductivity without an external magnetic field. The realiza…