DFT data of "Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3"
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This dataset contains the DFT data for the publication "Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3" (see arXiv:2009.11733).

For convenience the plotted data are included as .txt files in addition to the aiida export file that contains all calculations and their provenance.

The included files are:
- aiida_export_Eu_Bi2Te3_small.zip: aiida export file of all calculations (see below for a list of the uuid's of the most important calculations)
- export_j_of_r_ueff=825.txt: Text file conaining the J(r) data plotted in arXiv:2009.11733 
- export_dos_j_of_e_ueff=825.txt: Text file conaining the impurity DOS and J(E) data plotted in arXiv:2009.11733 

List of uuid's of the most important nodes in the aiida export file:

uuid                                     description
----------------------------------------------------------------------------------------------------------
23b13d9d-6e02-46c7-b3ac-17033b205b19     Bi2Te3 scf
1e32bcef-fab7-4e5c-91c4-ef880bde0be4     bandstructure surface projected Gamma-K
e6ffbca0-2c04-48dc-88b8-46b16c9d712d     bandstructure surface projected Gamma-M
573faf70-60ad-43b5-a221-98f1f1b0c651     2x2x1 supercell calculation of Eu:Bi2Te3

a43beb71-d5c3-4aa2-a00c-cdb6a4e5f1a7     Eu impurity DOS, LDA
862cebfd-28b6-401e-b504-7c49c7538222     Eu impurity DOS, U,J=5.0, 0.0
899c4151-34f4-44c6-94f3-97bfd8723657     Eu impurity DOS, U,J=5.0, 0.75
8bb30b4e-394e-46e7-a044-db30691afee7     Eu impurity DOS, U,J=5.0, 1.5
b6fdff00-de7e-4fb0-b86b-bb64898c4df5     Eu impurity DOS, U,J=7.0, 0.0
bdfd3bb6-8c93-4af9-aedc-90c274fc7236     Eu impurity DOS, U,J=7.0, 0.75
416e8a60-a813-47ce-90f3-4f4fe2dc2d1b     Eu impurity DOS, U,J=7.0, 1.5
8d83ada0-91a3-4237-b501-eb002e9d02f1     Eu impurity DOS, U,J=9.0, 0.0
fba62b1c-8de6-4388-b0a2-2c29588c2a36     Eu impurity DOS, U,J=9.0, 0.75
97309ada-0a79-4952-b192-e4b8fe44dd0b     Eu impurity DOS, U,J=9.0, 1.5

c6599295-d334-4b71-aa6f-440228101f65     Jij Eu_Bi_Eu_Bi_inplane=1 Ueff=6.25
18f60457-a74c-45cc-a67a-b39e2271762a     Jij Eu_Bi_Eu_Bi_inplane=1 Ueff=8.25
040731a3-1daa-4443-a548-a1bd0b1e1a9c     Jij Eu_Bi_Eu_Bi_inplane=2 Ueff=6.25
9aa4c40b-7b42-4372-8473-b0417d8646b4     Jij Eu_Bi_Eu_Bi_inplane=2 Ueff=8.25
c080963d-1c38-43fd-93fd-a99e267cfeaa     Jij Eu_Bi_Eu_Bi_inplane=3 Ueff=6.25
948d086f-6527-46e8-956c-afa7f26d0ed7     Jij Eu_Bi_Eu_Bi_inplane=3 Ueff=8.25
ac0cbd0e-f6ae-4c2f-b540-59ce2ad2b49b     Jij Eu_Bi1_Eu_Bi2_outofplane1=1_Ueff=6.25
620583cf-b972-434f-8544-29dfe5578721     Jij Eu_Bi1_Eu_Bi2_outofplane1=2_Ueff=6.25
2ca7f1b3-5d39-4d3e-be48-9048daae7326     Jij Eu_Bi1_Eu_Bi2_outofplane1=3_Ueff=6.25
395d1c4e-fd28-43d2-873a-5be5f10909e9     Jij Eu_Bi1_Eu_Bi2_outofplane1=1_Ueff=8.25
c3f439bb-0554-47c4-8f46-316ffd723120     Jij Eu_Bi1_Eu_Bi2_outofplane1=3_Ueff=8.25
fa124d3c-c6f5-4b4c-b0e2-f57b23430410     Jij Eu_Bi1_Eu_Bi2_outofplane1=2_Ueff=8.25

cd5e53ce-edf3-4df6-92ba-f734010d55e0     Eu impurity, U,j=9.0, 0.75, Jij(E)

448d3ff9-6128-47ac-b273-f9f1d3709dfb     Jij Eu_Bi_Eu_Bi_inplane=1_Ueff=8.25_EFshift=-0.4      
850bb6b2-a972-44ea-8711-b4c32c82470d     Jij Eu_Bi_Eu_Bi_inplane=1_Ueff=8.25_EFshift=-0.2      
fbd7f55c-d62a-48a3-87ac-b80eb8c3e197     Jij Eu_Bi_Eu_Bi_inplane=1_Ueff=8.25_EFshift=0.2       
25b9ef07-64d3-4b54-b924-849ca5e4e64b     Jij Eu_Bi_Eu_Bi_inplane=1_Ueff=8.25_EFshift=0.4       
aa46ce5a-8202-49a5-8ac0-31871a5070f1     Jij Eu_Bi1_Eu_Bi2_outofplane1=1_Ueff=8.25_EFshift=-0.4
66861244-4952-4043-bacd-b6b512101649     Jij Eu_Bi1_Eu_Bi2_outofplane1=1_Ueff=8.25_EFshift=0.4