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FIGURES 8, 9. Pyrgeuma pyrgodesmoides, n in Pyrgeuma pyrgodesmoides, n. gen., n. sp., a new millipede from Malaysia with unusual surface structures (Diplopoda, Chordeumatida, Heterochordeumatidae)
FIGURES 8, 9. Pyrgeuma pyrgodesmoides, n. sp., male. Fig. 8. Gonopods and ninth legs, anterior view. Agp, gonopods; c9, coxites of ninth legpair; pf9, prefemora of ninth legpair. Fig. 9. Tenth legpair, anterior view.
Surface electronic structure of Ni-doped Fe$_3$O$_4$(001)
<p>The main data analysis was done with Wavemetrics Igor Pro 7.08 using user-defined macros.</p><p> <strong>General Remarks</strong></p><p>The calibration factor for our electron analyzer in the laboratory source XPS measurements was determined based on the peak positions of Au 4f7/2 Ag 3d5/2, and Cu 2p3/2 acquired from freshly prepared metallic Au, Ag, and Cu samples. For a pass energy of 50 eV: </p><p>CKE=(MKE-0.58267)/0.99913</p><p>where CKE and MKE represent calibrated and measured kinetic energies, respectively.</p><p>The XPD and FSM patterns throughout this dataset are presented in a file structure: tab-separated YXZT. To obtain the patterns as they were represented in the manuscript, first plot Y vs. X in marker mode. Assign Z and T as marker size and color, respectively.</p><p> </p><p><strong>%%% Figure 1 %%%</strong></p><p> </p><p><strong>Figure 1.a and Figure 1.b</strong></p><p>The high symmetry points:</p><p>|ΓL|= √3π/a</p><p>|ΓX|= 2π/a</p><p>|ΓW|= √5π/a </p><p>|ΓK|= √3π/2a</p><p>|ΓU|= √3π/2a</p><p> <strong>Figure 1.c</strong></p><p>The SBZ boundaries for the bulk and reconstructed cell:</p><p>|ΓX|bulk= √2π/a </p><p>|ΓX|rec= π/a</p><p> <strong>Figure 1.d</strong></p><p>File: "Fig1d.tiff" </p><p>LEED Image (Energy=20 eV)</p><p><strong>Figure 1.e</strong></p><p>File: "Fig1e.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The Fermi surface of a pristine Fe3O4(001), excitation: He Ia (21.22 eV)</p><p><strong>Figure 1.f</strong></p><p>File: "Fig1f.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The Fermi surface of a pristine Fe3O4(001), excitation: He IIa (40.80 eV)</p><p> </p><p><strong>%%% Figure 2 %%%</strong></p><p> </p><p>Angular distribution maps of photoelectrons excited from their fixed initial-state energy Ei (EF, 0.22 eV, 0.43 eV, 1.29 eV, 1.49 eV and 1.70 eV) mapped versus parallel momentum.</p><p><strong>Figure 2.a </strong></p><p>Files: "Fig2a_EF.txt, Fig2a_0p22eV.txt, Fig2a_0p43eV.txt, Fig2a_1p29eV.txt, Fig2a_1p49eV.txt, Fig2a_1p70eV.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The measurements were acquired with a He Ia excitation. </p><p><strong>Figure 2.b </strong></p><p>Files: "Fig2b_EF.txt, Fig2b_0p22eV.txt, Fig2b_0p43eV.txt, Fig2b_1p29eV.txt, Fig2b_1p49eV.txt, Fig2b_1p70eV.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The simulations, which were obtained with the RSMS code, were acquired to mimic He Ia excitation. </p><p><strong>Figure 2.c </strong></p><p>Files: "Fig2c_EF.txt, Fig2c_0p22eV.txt, Fig2c_0p43eV.txt, Fig2c_1p29eV.txt, Fig2c_1p49eV.txt, Fig2c_1p70eV.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The measurements were acquired with a He IIa excitation. </p><p><strong>Figure 2.d </strong></p><p>Files: "Fig2d_EF.txt, Fig2b_0p22eV.txt, Fig2d_0p43eV.txt, Fig2d_1p29eV.txt, Fig2d_1p49eV.txt, Fig2d_1p70eV.txt" </p><p>File structure(Left-to-right): Tab separated YXZT</p><p>The simulations, which were obtained with the RSMS code, were acquired to mimic He IIa excitation. </p><p> </p><p><strong>%%% Figure 3 %%%</strong></p><p> </p><p><strong>Figure 3.a </strong></p><p>File: "Fig3a.txt" </p><p>"File structure: Tab-separated YYYX, where the first three columns (from left to right) represent spectra taken from the pristine, as-grown, and post-annealed samples, respectively. Column X (Ni 2p) denotes the binding energy.</p><p><strong>Figure 3.b </strong></p><p>File: "Fig3b.txt" </p><p>"File structure: Tab-separated YYYX, where the first three columns (from left to right) represent spectra taken from the pristine, as-grown, and post-annealed samples, respectively. Column X (Fe 2p) denotes the binding energy.</p><p><strong>Figure 3.c-e</strong></p><p>File: "Fig3c.txt, Fig3d.txt, Fig3e.txt " </p><p>File structure(Left-to-right): Tab separated YXZT</p><p> </p><p><strong>%%% Figure 4 %%%</strong></p><p> </p><p><strong>Figure 4.a </strong></p><p>File: "Fig4a_010.txt, Fig4a_110.txt, Fig4ac_kpar.txt" </p><p>File structure (Left-to-right): YY….YY (Fig4a_010.txt, Fig4a_110.txt) vs. X (Fig4ac_kpar.txt)</p><p>Parallel momentum range from k=0 Å-1 to k=1.83 Å-1.</p><p>Energy range Ebin= 0 eV to Ebin= 2.6 eV.</p><p>Plot type: MDC, Sample: Pristine Fe3O4(001), Crystal directions: [010] and [110]</p><p>Note that the data presented in the manuscript were given with a Y-offset.</p><p><strong>Figure 4.b </strong></p><p>File: "Fig4b_010.txt, Fig4b_110.txt, Fig4bd_en.txt" </p><p>File structure (Left-to-right): YY….YY (Fig4b_010.txt, Fig4b_110.txt) vs. X (Fig4bd_en.txt)</p><p>Parallel momentum range from k=0 Å-1 to k=1.83 Å-1.</p><p>Energy range Ebin= 0 eV to Ebin= 2.6 eV.</p><p>Plot type: EDC, Sample: Pristine Fe3O4(001), Crystal directions: [010] and [110]</p><p>Note that the data presented in the manuscript were given with a Y-offset.</p><p><strong>Figure 4.c </strong></p><p>File: "Fig4c_010.txt, Fig4c_110.txt, Fig4ac_kpar.txt " </p><p>File structure (Left-to-right): YY….YY (Fig4e_010.txt, Fig4e_110.txt) vs. X (Fig4ac_kpar.txt)</p><p>Parallel momentum range from k=0 Å-1 to k=1.83 Å-1.</p><p>Energy range Ebin= 0 eV to Ebin= 2.6 eV.</p><p>Plot type: MDC, Sample: Post-annealed 26-ML Ni/Fe3O4(001), Crystal directions: [010] and [110]</p><p>Note that the data presented in the manuscript were given with a Y-offset.</p><p><strong>Figure 4.d </strong></p><p>File: "Fig4d_010.txt, Fig4d_110.txt , Fig4bd_en.txt" </p><p>File structure (Left-to-right): YY….YY (Fig4d_010.txt, Fig4d_110.txt) vs. X (Fig4bd_en.txt)</p><p>Parallel momentum range from k=0 Å-1 to k=1.83 Å-1.</p><p>Energy range Ebin= 0 eV to Ebin= 2.6 eV.</p><p>Plot type: EDC, Sample: Post-annealed 26-ML Ni/Fe3O4(001), Crystal directions: [010] and [110]</p><p>Note that the data presented in the manuscript were given with a Y-offset.</p><p> </p><p><strong>%%% Figure 5 %%%</strong></p><p> </p><p><strong>Figure 5.a </strong></p><p>File: "Fig5a.txt"</p><p>File structure: Tab-separated YYX(Mg Ka) YYX(He Ia), where Y represents spectra taken from the pristine and post-annealed samples from left to right, respectively, and X denotes the binding energies.</p><p><strong>Figure 5.b </strong></p><p>File: "Fig5b.txt"</p><p>File structure : Tab separated YX-YYYX-YX</p><p>YX(Measurement) </p><p>Left-to-right (Y: The spectrum from the pristine sample, X: Binding energy)</p><p>YYYX(TDOS)</p><p>Left-to-right (Y: Spin up, Y: Spin down, Y: Spin Tot, X: Energy(X-offset: 4.943 eV) for NixFe3-xO4 (x=0))</p><p>YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>Left-to-right (Y: Spin Tot, X: Energy)</p><p><strong>Figure 5.c </strong></p><p>File: "Fig5c.txt"</p><p>File structure: Tab separated YX-YYYX-YX</p><p>YX(Measurement) </p><p>Left-to-right (Y: The spectrum from the post-annealed sample, X: Binding energy)</p><p>YYYX(TDOS)</p><p>Left-to-right (Y: Spin up, Y: Spin down, Y: Spin Tot, X: Energy(X-offset: 5.343 eV) for NixFe3-xO4 (x=1))</p><p>YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>Left-to-right (Y: Spin Tot, X: Energy)</p><p><strong>Figure 5.d </strong></p><p>File: "Fig5d.txt"</p><p>File structure: Tab separated YX-YYYX-YX</p><p>YX(Measurement) </p><p>Left-to-right (Y: XP spectrum from the post-annealed sample, X: Binding Energy)</p><p>YYYX(TDOS)</p><p>Left-to-right (Y: Spin up, Y: Spin down, Y: Spin Tot, X: Energy(X-offset: 5.593 eV) for NixFe3-xO4 (x=2))</p><p>YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>Left-to-right (Y: Spin Tot, X: Energy)</p><p><strong>Figure 5.e </strong></p><p>File: "Fig5e.txt"</p><p>File structure: Tab separated Y-YY-YY-X</p><p>Left-to-right (Y:Fe Total PDOS, Y: Fetet PDOS spin up, Y: Fetet PDOS spin down , Y: Feoct PDOS spin up, Y: Feoct PDOS spin down, X: Energy for for NixFe3-xO4 (x=0)) Gaussian Broadening: 0.2 eV</p><p><strong>Figure 5.f </strong></p><p>File: "Fig5f.txt"</p><p>File structure: Tab separated Y-YY-YY-YY-X</p><p>Left-to-right (Y: Ni and Fe Total PDOS, Y: Nioct PDOS spin up, Y: Nioct PDOS spin down , Y: Fetet PDOS spin up, Y: Fetet PDOS spin down, Y: Feoct PDOS spin up, Y: Feoct PDOS spin down, X: Energy(X-offset: 1.93 eV) for NixFe3-xO4 (x=1)) Gaussian Broadening: 0.2 eV</p><p><strong>Figure 5.g </strong></p><p>File: "Fig5g.txt"</p><p>File structure: Tab separated Y-YY-YY-X</p><p>Left-to-right (Y: Ni and Fe Total PDOS, Y: Nioct PDOS spin up, Y: Nioct PDOS spin down, Y: Fetet PDOS spin up, Y: Fetet PDOS spin down, X: Energy(X-offset: 2.12 eV) for NixFe3-xO4 (x=2)) Gaussian Broadening: 0.2 eV</p><p> </p><p><strong>%%% Figure 6 %%%</strong></p><p> </p><p><strong>Figure 6.a </strong></p><p>File: "Fig6a.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, X: Energy) (X-offset: 2 eV)</p><p><strong>Figure 6.b </strong></p><p>File: "Fig6b.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Ni 2p Energy) </p><p> </p><p><strong>%%% Figure 7 %%%</strong></p><p> </p><p><strong>Figure 7.a </strong></p><p>File: "Fig7a.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Energy) (X-offset: 2.8 eV)</p><p><strong>Figure 7.b </strong></p><p>File: "Fig7b.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Fe 2p Energy) </p><p> </p><p><strong>%%% Figure 8 %%%</strong></p><p> </p><p><strong>Figure 8.a </strong></p><p>File: "Fig8a.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Energy) (X-offset: 1.1 eV)</p><p><strong>Figure 8.b </strong></p><p>File: "Fig8b.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-X</p><p>(Y: (120 ML-Pristine), Y: (50 ML-Pristine), Y: (10 ML-Pristine), X: Energy) </p><p> </p><p><strong>%%% SUPLLEMENTARY INFORMATION %%%</strong></p><p> </p><p><strong>%%% Figure SI3 %%%</strong></p><p> </p><p> File: "FigSI3_pristine.txt, FigSI3_26ML_AG.txt, FigSI3_26ML_PA.txt"</p><p>File structure (Left-to-right): XY1-XY2-XY3… XY9-XY10-XY11-XY12 (AG: As-grown, PA: Post-annealed)</p><p>XY1 – XY9 (Y: Fit Peak, X: Energy) </p><p>XY10 (Y: Cumulative Fit Peak, X: Energy) </p><p>XY11 (Y: Residue, X: Energy) </p><p>XY12 (Y: Shirley BG Subtracted XPS Measurement, X: Energy) </p><p> </p><p><strong>%%% Figure SI4 %%%</strong></p><p> </p><p><strong>Figure SI4.a</strong></p><p> File: "FigSI4_oct.txt"</p><p>File structure(Left-to-right): YYYYYY1-YYYYYY2-YYYYYY3… YYYYYY4-X</p><p>YYYYYY1 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S</p><p>YYYYYY2 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-2</p><p>YYYYYY3 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-6</p><p>YYYYYY4 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-8</p><p>X: Energy</p><p><strong>Figure SI4.b</strong></p><p> File: "FigSI4_tet.txt"</p><p>File structure(Left-to-right): YYYYYY1-YYYYYY2-YYYYYY3… YYYYYY4-X</p><p>YYYYYY1 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-1</p><p>YYYYYY2 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: Interstitial Tet</p><p>YYYYYY3 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-3</p><p>YYYYYY4 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Layer: S-7</p><p>X: Energy</p><p>Channeltron positions: 0.00 eV, 0.22 eV, 0.43 eV, 1.29 eV, 1.49 eV and 1.70 eV</p><p> </p><p><strong>%%% Figure SI5 %%%</strong></p><p> </p><p><strong>Figure SI5.a</strong></p><p>File: "FigSI5a_EF.txt, FigSI5a_0p22eV.txt, FigSI5a_0p43eV.txt, FigSI5a_1p29eV.txt, FigSI5a_1p49eV.txt, FigSI5a_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p><strong>Figure SI5.b</strong></p><p>File: "FigSI5b_EF.txt, FigSI5b_0p22eV.txt, FigSI5b_0p43eV.txt, FigSI5b_1p29eV.txt, FigSI5b_1p49eV.txt, FigSI5b_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p><strong>Figure SI5.c</strong></p><p>File: "FigSI5c_EF.txt, FigSI5c_0p22eV.txt, FigSI5c_0p43eV.txt, FigSI5c_1p29eV.txt, FigSI5c_1p49eV.txt, FigSI5c_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p> </p><p><strong>%%% Figure SI6 %%%</strong></p><p> </p><p><strong>Figure SI6.a</strong></p><p>File: "FigSI6a_EF.txt, FigSI6a_0p22eV.txt, FigSI6a_0p43eV.txt, FigSI6a_1p29eV.txt, FigSI6a_1p49eV.txt, FigSI6a_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p><strong>Figure SI6.b</strong></p><p>File: "FigSI6b_EF.txt, FigSI6b_0p22eV.txt, FigSI6b_0p43eV.txt, FigSI6b_1p29eV.txt, FigSI6b_1p49eV.txt, FigSI6b_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p><strong>Figure SI6.c</strong></p><p>File: "FigSI6c_EF.txt, FigSI6c_0p22eV.txt, FigSI6c_0p43eV.txt, FigSI6c_1p29eV.txt, FigSI6c_1p49eV.txt, FigSI6c_1p70eV.txt "</p><p>File structure(Left-to-right): Tab separated YXZT</p><p> </p><p><strong>%%% Figure SI7 %%%</strong></p><p> </p><p><strong>Figure SI7.a</strong></p><p>File: "FigSI7a.tif"</p><p>LEED Image (Energy=20 eV), Sample: Pristine Fe3O4(001)</p><p><strong>Figure SI7.b</strong></p><p>File: "FigSI7b.tif"</p><p>LEED Image (Energy=20 eV), Sample: As-grown 26 ML Ni/Fe3O4(001)</p><p> </p><p><strong>Figure SI7.c</strong></p><p>File: "FigSI7c.tif"</p><p>LEED Image (Energy=20 eV), Sample: Post-annealed 26 ML Ni/Fe3O4(001)</p><p> </p><p><strong>%%% Figure SI8 %%%</strong></p><p> </p><p>File: "FigSI8_XPS_and_UPS.txt, FigSI8_Fe3O4_DOS.txt, FigSI8_NiFe2O4_DOS.txt, FigSI8_Ni2FeO4_DOS.txt"</p><p>Experiment: FigSI8_XPS_and_UPS.txt</p><p>File structure(Left-to-right): Tab separated YYX(Mg Ka) YYX(He Ia), where Y are the spectra taken from the pristine and post-annealed sample left to right, respectively, and X donate the binding energies.</p><p>DOS (Fe3O4): FigSI8_Fe3O4_DOS.txt </p><p>File structure: YYYX(TDOS) - YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>(Y: Spin Tot, Y: Spin up, Y: Spin down, X: Energy) (X-offset: 4.943 eV)</p><p>(Y: Spin Tot, X: Energy) </p><p> </p><p>DOS (NiFe2O4): FigSI8_NiFe2O4_DOS.txt </p><p>File structure: YYYX(TDOS) - YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>(Y: Spin Tot, Y: Spin up, Y: Spin down, X: Energy) (X-offset: 5.343 eV)</p><p>(Y: Spin Tot, X: Energy)</p><p> </p><p>DOS (NiFe2O4): FigSI8_Ni2FeO4_DOS.txt </p><p>File structure: YYYX(TDOS) - YX(Gaussian-broadened TDOS) Broadening:0.5 eV</p><p>(Y: Spin Tot, Y: Spin up, Y: Spin down, X: Energy) (X-offset: 5.593 eV)</p><p>(Y: Spin Tot, X: Energy)</p><p> </p><p><strong>%%% Figure SI9 %%%</strong></p><p> </p><p><strong>Figure SI9.a</strong></p><p>File: "Fig9a.txt"</p><p>File structure: YYYYYY1-YYYYYY2-X</p><p>YYYYYY1 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Fe_oct</p><p>YYYYYY2 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Fe_tet</p><p>X: Energy</p><p><strong>Figure SI9.b</strong></p><p>File: "Fig9b.txt"</p><p>File structure: YYYYYY1-YYYYYY2-YYYYYY3-X</p><p>YYYYYY1 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Fe_oct</p><p>YYYYYY2 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Fe_tet</p><p>YYYYYY3 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Ni_oct</p><p>X: Energy</p><p><strong>Figure SI9.c</strong></p><p>File: "Fig9c.txt"</p><p>File structure(Left-to-right): YYYYYY1-YYYYYY2-X</p><p>YYYYYY1 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Fe_tet</p><p>YYYYYY2 (Y: PDOS eg down, PDOS Tot down, PDOS t2g down, PDOS eg up, PDOS Tot up, PDOS t2g up) Coordination: Ni_oct</p><p>X: Energy</p><p> </p><p><strong>%%% Figure SI10 %%%</strong></p><p> </p><p>File: "FigSI10_010.txt, FigSI10_110.txt, FigSI10_Energy.txt" </p><p>File structure(Left-to-right): YY….YY (FigSI10_010.txt, FigSI10_110.txt) vs. X (FigSI10_Energy.txt)</p><p>Parallel momentum range from k=0 Å-1 to k=1.83 Å-1.</p><p>Plot type: EDC, Sample: Pristine Fe3O4(001), Crystal directions: [010] and [110]</p><p>Note that the data presented in the manuscript were given with a Y-offset.</p><p> </p><p><strong>%%% Figure SI11 %%%</strong></p><p> </p><p><strong>Figure SI11.a </strong></p><p>File: "Fig SI11a.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, X: Energy) (X-offset: 2 eV)</p><p><strong>Figure SI11.b </strong></p><p>File: "Fig SI11b.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Ni 2p Energy)</p><p><strong>Figure SI11.c </strong></p><p>File: "FigSI11c.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y: Pristine, X: Energy) (X-offset: 2.8 eV)</p><p><strong>Figure SI11.d </strong></p><p>File: "FigSI11d.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: Fe 2p Energy)</p><p><strong>Figure SI11.e </strong></p><p>File: "FigSI11e.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y: Pristine, X: Energy) (X-offset: 1.1 eV)</p><p><strong>Figure SI11.f </strong></p><p>File: "FigSI11f.txt"</p><p>File structure(Left-to-right): Tab separated Y-Y-Y-Y-X</p><p>(Y: 120 ML, Y:50 ML, Y: 10 ML, Y:Pristine, X: O 1s Energy)</p><p> </p>
Internal tides vertical structure and steric sea surface height signature south of New Caledonia revealed by glider observations
<p>Data to reproduce the figures of the preprint <em>Internal tides vertical structure and steric sea surface height signature south of New Caledonia revealed by glider observations</em>, submitted to <em>Ocean Science</em></p>
Hartree potentials and geometries of relaxed on-surface ice clusters in "Structure discovery in Atomic Force Microscopy imaging of ice"
<p>Hartree potentials and geometries of on-surface DFT-relaxed ice clusters used in the paper "Structure discovery in Atomic Force Microscopy imaging of ice".</p><p>The data are saved in a compressed .tar.gz archive. The unpacked archive contains the data for each ice cluster in the .xsf format. The density functional theory (DFT) calculations were done using the Vienna Ab-initio Simulation Package with the optB86b-vdW density functional.</p>
Controlling propagation velocity in Al/Ni reactive multilayer systems by periodic 2D surface structuring
Open the record for dataset details and reuse information.
Imaging surface structure and premelting of ice Ih with atomic resolution
<p>Here lies the tabulated data and the MD trajectories used to create the Figures for the Nature manuscript 2023-08-14175 titled "Imaging surface structure and premelting of ice Ih with atomic resolution".</p>
FIGURE. Microscopic structures of Gloeocantharellus salmonicolor (TH0817, holotype). a. Pileipellis with gloeoplerous hypha. b. Ornamented basidiospores drawn in surface view or optical section. c. Gloeocystidia. d. Basidia at different developmental stages. Bars = 10 µm. Drawings by K. Reschke. in New and interesting species of Agaricomycetes from Panama
FIGURE. Microscopic structures of Gloeocantharellus salmonicolor (TH0817, holotype). a. Pileipellis with gloeoplerous hypha. b. Ornamented basidiospores drawn in surface view or optical section. c. Gloeocystidia. d. Basidia at different developmental stages. Bars = 10 µm. Drawings by K. Reschke.
FIGURE. Coprolites preserved in an early Permian fern mesophyll. A, Gross morphology of a fragmentary fern frond, specimen PB23532. B, Basal part of a penultimate pinna showing sphenopteroid vegetative pinnules. C, Polished surface showing two sporangia with typical annulus structures (white arrowheads). D, SEM image showing an in situ trilete spore. E, The fertile pinnule which contains numerous coprolites along a transverse wound area. F, Enlargement showing coprolites filled with brown to black contents. G, SEM image of the same part in E. H, SEM image showing locally preserved epidermal cells and nearby coprolites. in Discovery of coprolites in an Early Permian fern mesophyll
FIGURE. Coprolites preserved in an early Permian fern mesophyll. A, Gross morphology of a fragmentary fern frond, specimen PB23532. B, Basal part of a penultimate pinna showing sphenopteroid vegetative pinnules. C, Polished surface showing two sporangia with typical annulus structures (white arrowheads). D, SEM image showing an in situ trilete spore. E, The fertile pinnule which contains numerous coprolites along a transverse wound area. F, Enlargement showing coprolites filled with brown to black contents. G, SEM image of the same part in E. H, SEM image showing locally preserved epidermal cells and nearby coprolites.
FIGURE. Floral habit and structure of C. spongifolia. A. Type specimen in situ with open, spathe limb (apex is reflexed out of view), and green spathe tube (ca. 6 cm long). B. Adjacent plant with inflorescences and prophylls. C. Spadix showing from top: sterile appendix, staminate (male) zone, sterile interstice, and green pistillate (female) zone with tapered, conical form. D. Detail of female zone showing a few basal staminodes. E–G. Berries of the preserved type specimen. G. Dissected berry with orthotropous ovules (some outlined) attached by funicles to parietal placentae (arrows). H. Surface of male zone showing closely-packed synandria. I. Synandria separated to show fused anther sacs beneath apical pores (example in center has 8 pores, 8 anthers) J. Mature fruiting head, with single berry removed to show seed packing and 67 seeds extracted (scale bar units: 1 mm) (Bach Ma NP; type 2020; fruit and seeds 2018). Photos: NVD and PJM. in Colocasia spongifolia sp. nov. (Araceae) in southern China and central Vietnam
FIGURE. Floral habit and structure of C. spongifolia. A. Type specimen in situ with open, spathe limb (apex is reflexed out of view), and green spathe tube (ca. 6 cm long). B. Adjacent plant with inflorescences and prophylls. C. Spadix showing from top: sterile appendix, staminate (male) zone, sterile interstice, and green pistillate (female) zone with tapered, conical form. D. Detail of female zone showing a few basal staminodes. E–G. Berries of the preserved type specimen. G. Dissected berry with orthotropous ovules (some outlined) attached by funicles to parietal placentae (arrows). H. Surface of male zone showing closely-packed synandria. I. Synandria separated to show fused anther sacs beneath apical pores (example in center has 8 pores, 8 anthers) J. Mature fruiting head, with single berry removed to show seed packing and 67 seeds extracted (scale bar units: 1 mm) (Bach Ma NP; type 2020; fruit and seeds 2018). Photos: NVD and PJM.
Deep-time structural evolution of retroviral and filoviral surface envelope proteins
<p>The retroviral surface envelope protein subunit (SU) mediates receptor binding and triggers membrane fusion by the transmembrane (TM) subunit. SU evolves rapidly under strong selective conditions, resulting in seemingly unrelated SU structures in highly divergent retroviruses. Structural modeling of the SUs of several retroviruses and related endogenous retroviral elements with AlphaFold 2 identifies a TM-proximal SU β-sandwich structure that has been conserved in the orthoretroviruses for at least 110 million years. The SU of orthoretroviruses diversified by the differential expansion of the β-sandwich core to form domains involved in virus-host interactions. The β-sandwich domain is also conserved in the SU equivalent GP1 of Ebola virus although with a significantly different orientation in the trimeric envelope protein structure relative to the β-sandwich of human immunodeficiency virus type 1 gp120, with significant evidence for divergent rather than convergent evolution. The unified structural view of orthoretroviral SU and filoviral GP1 identifies an ancient, structurally conserved, and evolvable domain underlying the structural diversity of orthoretroviral SU and filoviral GP1.</p>
Dataset used in Sea surface wind structure observed by wave gliders during tropical cyclones
<p>Sea surface wind vector observed by three wave gliders deployed in the Western Pacific Ocean. The observation level is 1.2 meter.</p>
Videos of the evolution of the projected band structures of Hexagonal phosphorus monolayer on Au(111) surface during uniform adsorption
<p>Attached to this DOI are videos of the evolution of the band structure and the band structure projections during the uniform adsorption of the HexP-monolayer on the Au(111) surface.</p> <p>The HexP-monolayer starts at 5 angström above its relaxed position and ends at its final relaxed position on the Au(111) surface.</p> <p>In total, 19 interpolation structures have been created (both ends included).</p> <p>On the left is the unit-cell of the simulated structure, with phosphorus atoms in orange and gold atoms in yellow.</p> <p>Band structure calculations and projections have been done using the Quantum ESPRESSO framework.</p>
Chemical and Structural In-Situ Characterization of Model Electrocatalysts by Combined Infrared Spectroscopy and Surface X-Ray Diffraction
<p>Raw and treated data</p>
Supporting Data for the Manuscript "Anionic Disorder and its Impact on the Surface Electronic Structure of Oxynitride Photoactive Semiconductors"
<p>This data repository provides additional data for the manuscript "Anionic disorder and its impact on the surface electronic structure of oxynitride photoactive<br>semiconductors". The data sets comprise the PES raw data files in *.h5 format, the results from RBS/ERDA measurements, and quantification of the surface N:O ratios using TEM in EDX mode.</p> <ul> <li>"BT8c" labels the BTON sample before PEC.</li> <li>"BT8a" labels the BTON sample after PEC.</li> </ul>
XPS investigation of Co-Ni oxidized compounds surface using peak on satellites ratio. Application to Co20Ni80 passive layer structure and composition.
<p>The .xls files contain the data of the Ni2p and Co2p spectra recorded on the spontaneously oxidized alloy sample, during sputtering.</p>
Dataset for "Unconventional structural evolution of the oxide surface in water unveiled by in situ sum frequency spectroscopy"
Open the record for dataset details and reuse information.
Research Data for "Electronic structure and stability of the active surface phase of NixCo3-xO4 spinel alkaline O2 evolution electrocatalysts: from an epitaxial model catalyst perspective"
<p>These datasets support main text and supplementary figures and tables of the paper "Electronic structure and stability of the active surface phase of NixCo3-xO4 spinel alkaline O2 evolution electrocatalysts: from an epitaxial model catalyst perspective" appearing in <em>ACS Applied Energy Materials </em>under DOI: <a href="https://doi.org/10.1021/acsaem.4c01688">https://doi.org/10.1021/acsaem.4c01688 </a></p>
FIGURES 7–14 in Morphology and surface structure of eggs and first instar larvae of Croce schmidti (Navás, 1927) (Neuroptera: Nemopteridae)
FIGURES 7–14. First instar larva of C. schmidti. 7. General view with light microscope. 8. SEM micrograph of general view. 9. SEM micrograph the surface of head and small dolichasters. 10. Head-prothorax connection. 11. SEM micrograph of legs. 12. Paired claws of a leg. 13. Dorsal surface of abdomen. 14. Last abdominal segment.
Land surface modeling over the Dry Chaco: the impact of model structures, and soil, vegetation and land cover parameters
<p>The datasets archived here include simulation results shown in the paper, “Land surface modeling over the Dry Chaco: the impact of model structures, and soil, vegetation and land cover parameters”, published in Hydrology and Earth System Sciences (Maertens et al., 2021). The simulations were conducted over the South-American Dry Chaco and output on the different water budget components was produced with three land surface models (CLM2.0, CLSM-F2.5, and Noah3.6) embedded in the NASA Land Information System (LIS). The default LIS parameters were revised with (i) improved soil parameters, (ii) satellite-based interannually varying vegetation indices (leaf area index and green vegetation fraction), and (iii) yearly land cover information. For each experiment described in the manuscript, we provide daily netcdf files (0.125° resolution, period Jan 1992 – Dec 2015). The conducted experiments are simulations with (i) default LIS parameters (BL), (ii) updated soil parameters (REV<sub>s</sub>) and (iii) interannualy varying vegetation and land cover parameters (REV<sub>SV</sub>).<br> For details, please refer to</p> <p>Maertens, M., De Lannoy, G. J. M., Apers, S., Kumar, S. V., and Mahanama, S. P. P.: Land Surface modeling over the Dry Chaco: the impact of model structures, and soil, vegetation and land cover parameters, Hydrology and Earth System Sciences.</p> <p>Please contact Michiel Maertens (michiel.maertens@kuleuven.be) or Gabriëlle De Lannoy (gabrielle.delannoy@kuleuven.be) for any questions.</p>
Surface Deformations from Glacial Isostatic Adjustment Models with Laterally Homogeneous, Compressible Earth Structure
<p>The zipped file contains global 1-degree grid files of four different surface deformation parameters:</p> <ul> <li>Horizontal velocity, North component (vnorth), in mm/a</li> <li>Horizontal velocity, East component (veast), in mm/a</li> <li>Vertical velocity (vup), in mm/a</li> <li>Geoid change (dgeoid), in mm/a</li> </ul> <p>calculated from a set of 26 different glacial isostatic adjustment models applying 10 different radially varying (=layered) earth structures and 3 different global ice models.</p> <p>The different earth structures and the available combinations with ice models can be found in the readme.pdf.</p> <p>File naming is simply {ice model}_{earth model}_{parameter}.grd. For example, anu-ice_f72_vup.grd is the global vertical velocity grid file calculated with a GIA model with ANU-ICE ice history and 60 km lithospheric thickness, 4E20 Pa s upper mantle viscosity and 2E21 Pa s lower mantle viscosity. Grid files (NetCDF format) were generated with GMT6 (Wessel et al., 2019), thus can be directly used.</p> <p>Ice thickness histories of ICE-6G_C (Argus et al., 20214; Peltier et al., 2015) and ICE-7G_NA (Roy & Peltier, 2017) were downloaded from W. R. Peltier’s data website at the University of Toronto, Canada: <a href="https://www.atmosp.physics.utoronto.ca/~peltier/data.php">https://www.atmosp.physics.utoronto.ca/~peltier/data.php</a></p> <p>Note that the velocity field of ICE-6G_C(VM5a) can be compared to the one available from W. R. Peltier’s data website. The files provided here are not a substitute for the ones by W. R. Peltier and colleagues! Analyzing the difference between the files from this work and the ones available on the data website can help getting an error estimate from the two GIA model implementations (see further below). The user will find minor differences in the uplift component but larger ones in far field areas of the horizontal components.</p> <p>ICE-7G_NA(VM7) results are added as complement for interested users. However, note that ICE-7G_NA contains ice thickness history modifications in North America only and a fully global re-optimization of the ice thickness is warranted. Hence, excessive use and interpretation of these grid files, especially on global scale, should be avoided.</p> <p>ANU-ICE is a global 1-degree ice thickness model merged from several regional models (Lambeck, 1995; Fleming & Lambeck, 2004; Lambeck et al., 2010; 2014; 2017) kindly provided by Anthony Lambert and Kurt Lambeck, ANU, Canberra, Australia. The regional models contain differing spatial and temporal resolutions that were unified to fit the global 1-degree spatial resolution at mainly common time steps (500–1000 years). The Antarctic Ice Sheet part contains changes in the last time steps, thus some larger changes in the velocities can be found there.</p> <p>The software ICEAGE (Kaufmann, 2004) is used for calculating the grids, which applies the viscoelastic normal-mode method (Peltier, 1974; Wu, 1978). The sea-level equation is solved in a pseudo-spectral approach (Mitrovica et al., 1994; Mitrovica & Milne, 1998) in an iterative procedure in the spectral domain. See further details in Kaufmann and Lambeck (2000; 2002). The spherical harmonic expansion in the spectral domain is truncated at degree 192, which corresponds to ~1° spatial resolution. The models are spherically symmetric (1D), compressible, with Maxwell-viscoelasticity, rotational feedback, and time-dependent coastlines. The Earth’s core is, as assumed to be inviscid, incorporated as lower boundary condition. Rheological parameters such as depth-dependent density, Young’s modulus, etc., are taken from PREM (Preliminary Reference Earth Model; Dziewonski & Anderson, 1981).</p> <p><strong>Acknowledgments</strong></p> <p>HS would like to thank Jeff Freymueller for discussions on model selection.</p> <p><strong>References</strong></p> <p>Argus, D. F., Peltier, W., Drummond, R., Moore, A.W. 2014. The Antarctica component of postglacial rebound model ICE-6G_C (VM5a) based on GPS positioning, exposure age dating of ice thicknesses, and relative sea level histories. Geophysical Journal International 198, 537–563, doi:10.1093/gji/ggu140.</p> <p>Dziewonski, A. M., Anderson, D. L. 1981. Preliminary reference Earth model. Physics of the Earth and Planetary Interiors 25, 297–356, doi:10.1016/0031-9201(81)90046-7.</p> <p>Fleming, K., Lambeck, K. 2004. Constraints on the Greenland ice sheet since the Last Glacial Maximum from sea-level observations and glacial-rebound models. Quaternary Science Reviews 23, 1053–1077, doi:10.1016/j.quascirev.2003.11.001.</p> <p>Kaufmann, G. 2004. Program Package ICEAGE, Version 2004. Manuscript. Institut für Geophysik der Universität Göttingen.</p> <p>Kaufmann, G., Lambeck, K., 2000. Mantle dynamics, postglacial rebound and the radial viscosity profile. Physics of the Earth and Planetary Interiors 121, 301–324, doi:10.1016/S0031-9201(00)00174-6.</p> <p>Kaufmann, G., Lambeck, K., 2002. Glacial isostatic adjustment and the radial viscosity profile from inverse modeling. Journal of Geophysical Research Solid Earth 107, ETG 5-1-ETG 5-15, doi:10.1029/2001JB000941.</p> <p>Lambeck, K. 1995. Late Devensian and Holocene shorelines of the British Isles and North Sea from models of glacio-hydro-isostatic rebound. Journal of the Geological Society London 152, 437–448, doi:10.1144/gsjgs.152.3.0437.</p> <p>Lambeck, K., Purcell, A., Zhao, J., Svensson, N.-O. 2010. The Scandinavian ice sheet: from MIS 4 to the end of the last glacial maximum. Boreas 39 (2), 410–435, doi:10.1111/j.1502-3885.2010.00140.x.</p> <p>Lambeck, K., Rouby, H., Purcell, A., Sun, Y., Sambridge, M. 2014. Sea level and global ice volumes from the Last Glacial Maximum to the Holocene. Proceedings of the National Academy of Sciences of the United States of America 111 (43), 15296–15303, doi:10.1073/pnas.1411762111.</p> <p>Lambeck, K., Purcell, A., Zhao, J. 2017. The North American Late Wisconsin ice sheet and mantle viscosity from glacial rebound analyses. Quaternary Science Reviews 158, 172–210, doi:10.1016/j.quascirev.2016.11.033.</p> <p>Mitrovica, J. X., Davis, J. L., Shapiro, I. I. 1994. A spectral formalism for computing three–dimensional deformations due to surface loads: 1. Theory. Journal of Geophysical Research Solid Earth 99(B4), 7057–7073, doi:10.1029/93JB03128.</p> <p>Mitrovica, J. X., Milne, G. A. 1998. Glaciation-induced perturbations in the Earth’s rotation: a new appraisal. Journal of Geophysical Research Solid Earth 103, 985–1005, doi:10.1029/97JB02121.</p> <p>Peltier, W. R. 1974. The impulse response of a Maxwell Earth. Reviews of Geophysics and Space Physics 12(4), 649–669, doi:10.1029/RG012i004p00649.</p> <p>Peltier, W., Argus, D., Drummond, R. 2015. Space geodesy constrains ice age terminal deglaciation: The global ICE-6G_C (VM5a) model. Journal of Geophysical Research Solid Earth 120, 450–487, doi:10.1002/2014JB011176.</p> <p>Roy, K., Peltier, W. R. 2017. Space-geodetic and water level gauge constraints on continental uplift and tilting over North America: regional convergence of the ICE-6G_C (VM5a/VM6) models. Geophysical Journal International 210(2), 1115-1142, doi:10.1093/gji/ggx156.</p> <p>Wessel, P., Luis, J. F., Uieda, L., Scharroo, R., Wobbe, F., Smith, W. H. F., Tian, D. 2019. The Generic Mapping Tools version 6. Geochemistry, Geophysics, Geosystems 20, 5556–5564, doi:10.1029/2019GC008515.</p> <p>Wu P. 1978. The response of a Maxwell earth to applied surface mass loads: glacial isostatic adjustment. MSc thesis, University of Toronto, Toronto, Ontario, Canada.</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.