Data for 'Complete reversal of the atomic unquenched orbital moment by a single electron'

This folder contains all the raw data needed to generate the figures in the paper 'Complete reversal of the atomic unquenched orbital moment by a single electron.'

Contents: 

Figure 1 

(a) STM topography 'Fig1Topography.sxm'
(b) and (c) DFT calculations, reproduced with 'public_sis2.pw.in' and the Quantum ESPRESSO package.

Figure 2 

(a) Energy levels (in meV) for the spin-orbit Hamiltonian, reproduced using 'Fig2spectra_SM'; multiplet calculations from the point-charge model found in 'Fig2spectra_PCM.' 
Please note that .out files can be opened with any text editor (e.g. such as TextEdit), and .tar files can be unpacked with any open-source file archiver (e.g. such as 7-zip).
(b) dI/dV spectra atop Fe atom and bare Cu2N: 'Fig2Spec_MonomerFullRange' and 'Fig2Spec_CuNFullRange'

Figure 3

(a) and (b) field dependence of the spin excitation, with data files 'SJ30_001-036', for 0-4T. Field values indicated in data files.
(c) 1T-5T data of orbital excitation, in order of increasing field: 'Fig4Spec_1T', 'Fig4Spec_2T', 'Fig4Spec_3T', 'Fig4Spec_4T', 'Fig4Spec_5T.' PCM transport calculations also provided. 
(d) Zeeman splitting data in 'ShiftwField'

Figure 4

(a) and (b) current sweeps, with data files 'S_J31_016-032'. Current values indicated in data files.
(c) Measured data 'Fig4MonomerSpectrum.' Point-charge transport calculations in 'PCMTransport.' Spin-orbit transport calculations in 'SOTransport.'
(d) Point-charge calculations in 'Occupations', first column is the Bias (mv), second column is the occupation of the ground state, and third column is occupation of the first excited state.