Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy"

332 36 6586 4 16588 document 6586 143.zip application/zip 15070d7c774b71b246b4e2313a022962 MD5 2555 2017-06-13 12:52:31 https://researchdata.bath.ac.uk/332/1/143.zip 332 1 1 application/zip other Quantum Espresso input files for structural optimisation of ReSe2 unit cell prior to band structure calculations. The atomic coordinates specified here were used to generate Figure 1 of the associated paper via freeware Jmol and Xcrysden codes. en public all_rights_reserved

143.zip

data 6587 4 16590 document 6587 149.zip application/zip 40a23d36e5b39625e54038f1b8874ba4 MD5 1265958 2017-06-13 12:52:45 https://researchdata.bath.ac.uk/332/2/149.zip 332 2 2 application/zip other Quantum Espresso (QE) input files for calculation of ReSe2 valence band structure from which simulated Fermi surface maps can be plotted. Raw output of the calculation is included in the standard QE format (see QE documentation). The data generated was used to make the Fermi surface section in Figure 2 of the associated paper via the commercial Origin package. en public all_rights_reserved

149.zip

data 6588 4 16592 document 6588 160-164.zip application/zip 3f6f1f6931c7ad86883c344765a59610 MD5 7362 2017-06-13 12:52:51 https://researchdata.bath.ac.uk/332/3/160-164.zip 332 3 3 application/zip other Quantum Espresso (QE) input files for calculation of ReSe2 valence band dispersion in the specific directions in reciprocal space discussed in the associated paper. The data generated was used in Figures 3 and 4 of the associated paper and was plotted using the commercial Origin package. en public all_rights_reserved

160-164.zip

data 6589 4 16594 document 6589 172.zip application/zip fea2ff13f938f30b3cef994dca09c6ef MD5 792407 2017-06-13 12:52:55 https://researchdata.bath.ac.uk/332/4/172.zip 332 4 4 application/zip other Quantum Espresso (QE) input files for calculation of ReSe2 valence band structure over the whole volume of the Brillouin zone, from which the three dimensional Fermi surface can be plotted. Raw output of the calculation is included in the standard QE format (see QE documentation). The data generated was used in Figure 5 of the associated paper and was plotted using the commercial Matlab package. en public all_rights_reserved

172.zip

data 6590 4 16601 document 6590 20160414_ReSe2_FS_1.zip application/zip bc47e952a7feef43dac7dde545c46fb9 MD5 479561017 2017-06-13 13:17:33 https://researchdata.bath.ac.uk/332/5/20160414_ReSe2_FS_1.zip 332 5 5 application/zip other Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4. en public all_rights_reserved

20160414_ReSe2_FS_1.zip

data 6591 3 16603 document 6591 20160414_ReSe2_FS_2.zip application/zip c7fa0731c19f3db8be3db2587ff4f22a MD5 623355825 2017-06-13 13:19:45 https://researchdata.bath.ac.uk/332/6/20160414_ReSe2_FS_2.zip 332 6 6 application/zip other Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4. en public all_rights_reserved

20160414_ReSe2_FS_2.zip

data 6592 3 16605 document 6592 20160414_ReSe2_FS_3.zip application/zip d20fab0d1834af9e3e5ecd94c89831f8 MD5 543562444 2017-06-13 13:21:45 https://researchdata.bath.ac.uk/332/7/20160414_ReSe2_FS_3.zip 332 7 7 application/zip other Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figures 2, 3, and 4. en public all_rights_reserved

20160414_ReSe2_FS_3.zip

data 6593 3 16607 document 6593 20160415_ReSe2_PhotonEnergyDependent.zip application/zip f77117c33d9726cdb5def6a5aba4e1fa MD5 230322615 2017-06-13 13:22:44 https://researchdata.bath.ac.uk/332/8/20160415_ReSe2_PhotonEnergyDependent.zip 332 8 8 application/zip other Angle-resolved photoemission data for ReSe2 obtained at the ANTARES beamline of the SOLEIL synchrotron, Paris, in format readable by the commercial Igor package using proprietary macros developed at SOLEIL. This data may only be used with the consent of the SOLEIL co-authors on the associated paper. This data was used to generate parts of Figure 5. en public all_rights_reserved

20160415_ReSe2_PhotonEnergyDependent.zip

data 6874 2 17789 document 6874 access_readme.txt text/plain 97235a6274ca1ba7f8361ff3b08e97a2 MD5 570 2017-09-06 14:57:13 https://researchdata.bath.ac.uk/332/9/access_readme.txt 332 9 9 text/plain other Description of terms of access and reuse en staffonly all_rights_reserved

access_readme.txt

data 6875 1 17793 document 6875 indexcodes.txt text/plain 97a962e5c906a4eae2cd49db19d95066 MD5 276 2017-09-06 15:07:36 https://researchdata.bath.ac.uk/332/10/indexcodes.txt 332 10 10 text/plain other Generate index codes conversion from other to indexcodes en staffonly

indexcodes.txt

http://eprints.org/relation/isVersionOf https://researchdata.bath.ac.uk/id/document/6874 http://eprints.org/relation/isVolatileVersionOf https://researchdata.bath.ac.uk/id/document/6874 http://eprints.org/relation/isIndexCodesVersionOf https://researchdata.bath.ac.uk/id/document/6874 archive 472 disk0/00/00/03/32 2017-11-13 09:47:24 2024-07-18 12:31:38 2017-11-13 09:47:24 data_collection show Wolverson Daniel D.Wolverson@bath.ac.uk 0000-0002-5578-6018 University of Bath TRUE DataCollector Hart Lewis L.S.Hart@bath.ac.uk University of Bath DataCollector Webb James jlw76@bath.ac.uk University of Bath DataCollector Mucha-Kruczynski Marcin M.Mucha-Kruczynski@bath.ac.uk 0000-0002-6597-3888 University of Bath DataCollector Bending Simon S.Bending@bath.ac.uk 0000-0002-4474-2554 University of Bath DataCollector Dale Sara S.Dale@bath.ac.uk 0000-0002-3417-5808 University of Bath Supporting information for "Valence band structure of ReSe2 investigated by angle-resolved photoemission spectroscopy" dept_physics Data here represents raw computational and experimental data for the following work: ReSe2 and ReS2 are unusual compounds amongst the layered transition metal dichalcogenides as a result of their low symmetry, with a characteristic in-plane anisotropy due to in-plane rhenium ‘chains’. They preserve inversion symmetry independent of the number of layers and, in contrast to more well-known transition metal dichalcogenides, bulk and few-monolayer Re-TMD compounds have been proposed to behave as electronically and vibrational decoupled layers. Here, we probe for the first time the electronic band structure of bulk ReSe2 by direct nanoscale angle-resolved photoemission spectroscopy. We find a highly anisotropic in- and out-of-plane electronic structure, with the valence band maxima located away from any particular high-symmetry direction. The effective mass doubles its value perpendicular to the Re chains and the interlayer van der Waals coupling generates significant electronic dispersion normal to the layers. Our density functional theory calculations, including spin-orbit effects, are in excellent agreement with these experimental findings. 2017-01-24 University of Bath restricted RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/P004830/1 Nano-ARPES Studies of Novel Transition Metal Dichalcogenides Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/M022188/1 Tailoring Magnetic Properties of Mn-Cr Chalcogenide Alloys and Heterostructures Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L015544/1 EPSRC Centre for Doctoral Training in Condensed Matter Physics Experimental data: angle resolved photoemission (ARPES) at the ANTARES beamline of the SOLEIL synchrotron, Paris Computational data: generated by the Quantum Espresso code. Experimental data processed via proprietary SOLEIL macros within the commercial Igor data analysis software. SOLEIL macros, Igor code. Contact authors of this paper based at SOLEIL for more information. en 1 10.15125/BATH-00332 https://doi.org/10.1038/s41598-017-05361-6 pub open other The data are openly available for inspection. The data may not be further re-used, however, without agreement from the data originator. Further details are available on request.