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

<p>This folder contains all the raw data needed to generate the figures in the paper &#39;<em>Complete reversal of the atomic unquenched orbital moment by a single electron</em>.&#39;</p> <p><strong>Contents:&nbsp;</strong></p> <p><em>Figure 1&nbsp;</em></p> <p>(a) STM topography &#39;Fig1Topography.sxm&#39;<br> (b) and (c) DFT calculations, reproduced with &#39;public_sis2.pw.in&#39; and the Quantum ESPRESSO package.</p> <p><em>Figure 2&nbsp;</em></p> <p>(a) Energy levels (in meV) for the spin-orbit Hamiltonian, reproduced using &#39;Fig2spectra_SM&#39;; multiplet calculations from the point-charge model found in &#39;Fig2spectra_PCM.&#39;&nbsp;<br> 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).<br> (b) dI/dV spectra atop Fe atom and bare Cu2N: &#39;Fig2Spec_MonomerFullRange&#39; and &#39;Fig2Spec_CuNFullRange&#39;</p> <p><br> <em>Figure 3</em></p> <p>(a) and (b) field dependence of the spin excitation, with data files &#39;SJ30_001-036&#39;, for 0-4T. Field values indicated in data files.<br> (c) 1T-5T data of orbital excitation, in order of increasing field: &#39;Fig4Spec_1T&#39;, &#39;Fig4Spec_2T&#39;, &#39;Fig4Spec_3T&#39;, &#39;Fig4Spec_4T&#39;, &#39;Fig4Spec_5T.&#39; PCM transport calculations also provided.&nbsp;<br> (d) Zeeman splitting data in &#39;ShiftwField&#39;</p> <p><em>Figure 4</em></p> <p>(a) and (b) current sweeps, with data files &#39;S_J31_016-032&#39;. Current values indicated in data files.<br> (c) Measured data &#39;Fig4MonomerSpectrum.&#39; Point-charge transport calculations in &#39;PCMTransport.&#39; Spin-orbit transport calculations in &#39;SOTransport.&#39;<br> (d) Point-charge calculations in &#39;Occupations&#39;, 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.</p>