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Computational and experimental design of advanced materials with new functionalities, project No. CZ.02.1.01/0.0/0.0/15.003/0000358, OP RDE 02_15_003 “Excellent Research Teams”


KOB 18_Weinelt_Bi2Se3_PhysRevB.98.155406

Origin of spin-polarized photocurrents in the topological surface states of Bi2Se3; A. S. Ketterl, S. Otto, M. Bastian, B. Andres, C. Gahl, J. Minár, H. Ebert, J. Braun, O. E. Tereshchenko, K. A. Kokh, Th. Fauster, and M. Weinelt; PHYSICAL REVIEW B 98, 155406 (2018)

DOI:10.1103/PhysRevB.98.155406

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AMS18_APCOM_STO_alarab2018

Study and characterization of SrTiO3 surface; Fatima Alarab, Ján Minár, Pavol Šutta, Lucie Prušáková, Rostislav Medlín, Olivier Heckmann, Christine Richter,
and Karol Hricovini; American Institute of Physics

DOI:doi.org/10.1063/1.5048853

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BME18_Phys_Reports_740_1

Correlation, temperature and disorder: Recent developments
in the one-step description of angle-resolved photoemission; Jürgen Braun , Ján Minár , Hubert Ebert; Physics Reports 740 (2018) 1–34

DOI:10.1016/j.physrep.2018.02.007

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BMW 18_Fe3O4_Battiato_PhysRevLett.121.077205

Distinctive Picosecond Spin Polarization Dynamics in Bulk Half Metals; M. Battiato, J. Minár, W. Wang, W. Ndiaye, M. C. Richter, O. Heckmann, J.M.Mariot,F. Parmigiani, K. Hricovini and C. Cacho; PHYSICAL REVIEW LETTERS 121, 077205 (2018)

DOI: 10.1103/PhysRevLett.121.077205

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DBJ 18_Dakhel_JourAllComp_Cd_Al_inZnO

Effect of (Cd, Al) Co-doping and hydrogenation on the long-range ferromagnetic ordering of ZnO: Experimental and DFT studies; A.A. Dakhel, M. Bououdina, A. Jaafar, W. Khan, S. Azam, J. Minar, M.B. Kanoun, S.
Goumri-Said; Journal of Alloys and Compounds

DOI: 10.1016/j.jallcom.2018.04.221

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DMEC18_FeNi_Benea_benea2018

Magnetic Compton profiles of disordered Fe0.5Ni0.5 and ordered FeNi alloys; D. Benea, J. Minár, H. Ebert, and L. Chioncel; PHYSICAL REVIEW B 97, 144408 (2018)

DOI: 10.1103/PhysRevB.97.144408

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heckmann2018

Quasi 1D structures at the Bi/InAs(100) surface; Olivier Heckmann, Maria Christine Richter, Jean-Michel Mariot, Laurent Nicolaï, Ivana Vobornik, Weimin Wang, Uros Djukic, and Karol Hricovini; American Institute of Physics

DOI:doi.org/10.1063/1.5048869

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KFN 17_Krempasky_1-s2.0-S0022369717314531-main

Spin-resolved electronic structure of ferroelectric α-GeTe and
multiferroic Ge1-xMnxTe; J. Krempaský, M. Fanciulli, N. Pilet, J. Minar , W. Khan, M. Muntwiler, F. Bertran, S. Muff, A.P. Weber, V.N. Strocov, V.V. Volobuiev, G. Springholz, J.H. Dil; Journal of Physics and Chemistry of Solids xxx (2017) 1–8

DOI:doi.org/10.1016/j.jpcs.2017.11.010

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KHMA17_Walayat_JourElctronicMat

Electronic and Thermoelectric Properties of Ternary Chalcohalide Semiconductors: First Principles Study;WILAYAT KHAN, SAJJAD HUSSAIN, JAN MINAR and SIKANDER AZAM; Journal of ELECTRONIC MATERIALS

DOI: 10.1007/s11664-017-5884-z

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KOB 18_Weinelt_Bi2Se3_PhysRevB.98.155406

Origin of spin-polarized photocurrents in the topological surface states of Bi2Se3; A. S. Ketterl, S. Otto, M. Bastian, B. Andres, C. Gahl, J. Minár, H. Ebert, J. Braun, O. E. Tereshchenko, K. A. Kokh, Th. Fauster and M. Weinelt; PHYSICAL REVIEW B 98, 155406 (2018)

DOI: 10.1103/PhysRevB.98.155406

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NGK 18_GaMnAs_nemsak_NatCom

Element- and momentum-resolved electronic structure of the dilute magnetic semiconductor manganese doped gallium arsenide; Slavomír Nemšák, Mathias Gehlmann, Cheng-Tai Kuo, Shih-Chieh Lin, Christoph Schlueter, Ewa Mlynczak, Tien-Lin Lee, Lukasz Plucinski, Hubert Ebert, Igor Di Marco, Ján Minár, Claus M. Schneider & Charles S. Fadley; NATURE COMMUNICATIONS  (2018) 9:3306 

DOI: 10.1038/s41467-018-05823-z 

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NM18_APCOM_Ag_nicola2018

XPS limit in soft X-ray photoemission spectroscopy of Ag(001); Laurent Nicolaï, and Ján Minár; American Institute of Physics

DOI:10.1063/1.5048885

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XZH 18_Cohen_PhysRevLett.121.096601

Thermal Conductivity and Electrical Resistivity of Solid Iron at Earth’s Core
Conditions from First Principles; Junqing Xu, Peng Zhang, K. Haule, Jan Minar, Sebastian Wimmer, Hubert Ebert and R. E. Cohen; PHYSICAL REVIEW LETTERS 121, 096601 (2018)

DOI: 10.1103/PhysRevLett.121.096601

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EBMM18_CPA_alloy_analogy_Book_Springer

Treatment of Thermal Effects by Meansof the Alloy Analogy Model; Hubert Ebert, Jürgen Braun, Ján Minár and Sergiy Mankovsky; book springer

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MSBE18_KKR_Book_Springer

Implementation of Exact Diagonalizationin KKR+DMFT; Ján Minár, Igor Di Marco and Jindrich Kolorenc; book springer

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MMK18_ED_KKR_Book_Springer

KKR Green’s Function Method in Reciprocaland Real Space; Ján Minár, Ondrej Šipr, Jürgen Braun and Hubert Ebert; book springer

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LMB 18_Ag_CMS_Jourdan_jphysd_appl_phys

Signature of a highly spin polarized resonance state at Co2MnSi(0 0 1)/Ag(0 0 1) interfaces; Christian Lidig, Jan Minár, Jürgen Braun, Hubert Ebert, Andrei Gloskovskii, Alexander Kronenberg, Mathias Kläui and Martin Jourdan;Journal of Physics D: Applied Physic

DOI:10.1088/1361-6463/aab1cf

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VMS 18_CuMnAs_Vyborny_PhysRevB.97.125109

Band structure of CuMnAs probed by optical and photoemission spectroscopy; M. Veis, J. Minár, G. Steciuk, L. Palatinus, C. Rinaldi, M. Cantoni, D. Kriegner, K. K. Tikuišis, J. Hamrle, M. Zahradník, R. Antoš, J.Železný, L.Šmejkal, X. Marti, P. Wadley, R. P. Campion, C. Frontera, K. Uhlířová, T. Duchoň, P. K užel, V. Novák, T. Jungwirth, and K. Výborný; PHYSICAL REVIEW B97, 125109 (2018)

DOI:10.1103/PhysRevB.97.12510

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KHMA17_Walayat_JourElctronicMat

Electronic and Thermoelectric Properties of TernaryChalcohalide Semiconductors: First Principles Study; WILAYAT KHAN, SAJJAD HUSSAIN, JAN MINAR , SIKANDER AZAM; Journal of ELECTRONIC MATERIAL; 

DOI: 10.1007/s11664-017-5884-z

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VM18_jsr_18_broadening

Finite lifetime broadening of calculated X-ray absorptionspectra: possible artefacts close to the edge; Ondrej Sipr, Jirı Vackar Jan Minar; J. Synchrotron Rad.(2018).25, 523–528

DOI: 10.1107/S1600577518000048

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NFF 17_PNAS_BaCr2As2_Fink

Observation of a remarkable reduction of correlationeffects in BaCr2As2by ARPES; Jayita Nayaka, Kai Filsingera, Gerhard H. Fechera, Stanislav Chadova, Jan Minar, Emile D. L. Rienks, Bernd Buchner, Stuart P. Parkine, Jorg Finka,Claudia Felser; PNAS Early Editi

DOI: 10.1073/pnas.17022

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HKM 17_Hanault_FeTiO3_InorgChem

Local vs Nonlocal States in FeTiO3Probed with 1s2pRIXS:Implications for Photochemistr; Myrtille O. J. Y. Hunault, Wilayat Khan, Jan Minar, Thomas Kroll, Dimosthenis Sokaras, Patric Zimmermann, Mario U. Delgado-Jaime, Frank M. F. de Groot;  2017 American Chemical Soc

DOI:10.1021/acs.inorgchem.7b00938

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HNMS18_Hausler_Schnick_Chemistry_a_European_Journal

AmmonothermalSynthesisand OpticalPropertiesof TernaryNitrideSemiconductorsMg-IV-N2,Mn-IV-N2and Li-IV2-N3(IV=Si, Ge); JonasH-usler, RobinNiklaus,Jan Minar, and WolfgangSchnick; Chem.Eur.J.2018,24,1686 –1693

DOI:10.1002/chem.201704973

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Medlin-Minar-structural_and_electronic_properties_of_ti_doped_zno_xrd_tem_eels_and_abinitio_simulations

Structural and Electronic Properties of Ti Doped ZnO: XRD, TEM, EELS and Abinitio
Simulations; Medlin Rostislav, Minar Jan, Sutta Pavol, Khan Wilayat, Sipr Ondrej, Novak Petr, Netrvalova Marie; Microsc. Microanal. 23 (Suppl 1), 2017

DOI:10.1017/S1431927617009096

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Malek-Medlin-Article-1-s2.0-S1751616117303181-main

The effect of annealing temperature on the properties of powder metallurgy
processed Ti-35Nb-2Zr-0.5O alloy; Jaroslav Málek, František Hnilica, Jaroslav Veselý, Bohumil Smola, Rostislav Medlínd; Journal of the Mechanical Behavior of
Biomedical Materials

DOI:/10.1016/j.jmbbm.2017.07.032

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ocenasek_2017_JAP

Comment on “Peak temperatures from Raman Stokes/anti-Stokes ratios during laser heating by a Gaussian beam”;Jan Očenášek; Journal of Applied Physics

DOI:/10.1063/1.4979535

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DBK 17_Derondeau_et_al-2017-Scientific_Reports

Fermi surface and effective masses in photoemission response of the (Ba1−xKx)Fe2As2 superconductor; Gerald Derondeau, Federico Bisti , Masaki Kobayashi, Jürgen Braun, Hubert Ebert, Victor A. Rogalev , Ming Shi, Thorsten Schmitt, Junzhang Ma, Hong Ding, Vladimir N. Strocov & Ján Minár; SCIeNtIfIC ReportS

DOI:10.1038/s41598-017-09480-y

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KG 07_10.1016

Magnetic and electronic properties of Neptunium chalcogenides from GGA+U
+SOC and DFT investigations; Wilayat Khan, Souraya Goumri-Said; Journal of Magnetism and Magnetic Materials (2017)

DOI:10.1016/j.jmmm.2017.01.073

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ABBO_2017

First principles study of magnetic and electronic properties of A2BB0O6
(A = Ba, Sr) (BB0 = FeRe, MnMo, and MnRe) double perovskites; Shabir Ali, Wilayat Khan, G. Murtaza, M. Yaseen, Shahid M. Ramay, Asif Mahmood; Journal of Magnetism and Magnetic Materials (2017)

DOI: 10.1016/j.jmmm.2017.05.035

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Np2X5_2017

Magnetic and electronic properties of Neptunium chalcogenides from
GGA + U + SOC and DFT investigations; Wilayat Khan, Souraya Goumri-Said; Journal of Magnetism and Magnetic Materials (2017)

DOI: 10.1016/j.jmmm.2017.01.073

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SMC 17_ultramicroscopy_Ir111

Spin-Filtered Time-of-Flight k-Space Microscopy of Ir Ð Towards the
ÒCompleteÓ Photoemission Experiment; G. Sch¬onhense , K. Medjanik , S. Chernov , D. Kutnyakhov , O. Fedchenko , M. Ellguth , D. Vasilyev , A. Zaporozhchenko-Zymakov«a , D. Panzer , A. Oelsner , C. Tusche , B. Sch¬onhense , J. Braun , J. Min« ar , H. Ebert , J. Viefhaus , W. Wurth , H.J. Elmers; Ultramicroscopy (2017)

DOI: 10.1016/j.ultramic.2017.06.025

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MEC17_FO1346_epjst

A self-consistent, relativistic implementation of the LSDA+DMFT method;J. Minar1,a, H. Ebert2, and L. Chioncel3,4; Eur. Phys. J. Special Topics 226, 2477–2498 (2017)

DOI: 10.1140/epjst/e2017-70047-5

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Ocenasek_ASS_2017

Kinetics of the laser-induced solid phase crystallization of amorphoussilicon—Time-resolved Raman spectroscopy and computersimulations; Applied Surface Science 392 (2017) 867–871

DOI:10.1016/j.apsusc.2016.09.053

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Varillas 2017 acta

Unraveling deformation mechanisms around FCC and BCC nanocontacts through slip trace and pileup topography analyses, Acta Materialia 125 (2017) 431e441

DOI: 10.1016/j.actamat.2016.11.067

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SBB 17_Ir001_Schaefer_PhysRevB.95.104423

Vectorial spin polarization detection in multichannel spin-resolved photoemission pectroscopy using an Ir(001) imaging spin filter;PHYSICAL REVIEW B 95, 104423 (2017)

DOI: 10.1103/PhysRevB.95.104423

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NMHS17_Niklaus_LED_10.1039@c6cp08764g

First-principle and experimental characterization of the electronic properties of CaGaSiN3 and CaAlSiN3: Impact of chemical disorder;Robin Niklaus,a Jan Minár, Jonas Häuslera and Wolfgang Schnick; 

DOI: 10.1039/x0xx00000x

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KME 17_Salem_CPA_PhysRevB.95.014408

Local environment effects in the magnetic properties and electronic
structure of disordered FePt; Saleem Ayaz Khan, Jan Minar, Hubert Ebert, Peter Blaha, and Ondrej Sipr; PHYSICAL REVIEW B 95, 014408 (2017)

DOI: 10.1103/PhysRevB.95.014408

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ISSE2017_Abstract_A_Shtereva

Electrical and optical characterization of sputtered ZnO:Ga thin films doped with nitrogen; Krasimira Shtereva, Vladimir Tvarozek, Jaroslav Kovac, Ivan Novotny, Ondrej Szabo, Marian Vojs, Sona Kovacova; 

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FVM 17_Dil_spin_pol_dyn_PhysRevLett.118.067402_supplement

Spin polarization and attosecond time delay in photoemission from spin degenerate states of solids; Mauro Fanciulli, Henrieta Volfova, Stefan Muff, Jurgen Braun,
Hubert Ebert, Jan Minar, Ulrich Heinzmann, J. Hugo Dil; Supplemental material

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DZB 17_Bi2Se3_Unoccupied_Donath_PhysRevB.95.115401

Unraveling the spin structure of unoccupied states in Bi2Se3; Christian Datzer, Anna Zumbulte, Jurgen Braun, Tobias Forster, Anke B. Schmidt, Jianli Mi, Bo Iversen, Philip Hofmann, Jan Minar, Hubert Ebert, Peter Kruger, Michael Rohlfing, and Markus Donath; PHYSICAL REVIEW B 95, 115401 (2017)

DOI: 10.1103/PhysRevB.95.115401

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CMME17_Gd_Chadova_PhysRevB.95.125109

Impact of finite temperatures on the transport properties of Gd from first principles
K. Chadova, S. Mankovsky, J. Min´ar, H. Ebert; PHYSICAL REVIEW B 95, 125109 (2017)

DOI: 10.1103/PhysRevB.95.125109

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BBK 17_Barriga_Bi2Te3_Dynamik_PhysRevB.95.125405

Subpicosecond spin dynamics of excited states in the topological insulator Bi2Te3;
J. S´anchez-Barriga, M. Battiato, M. Krivenkov, E. Golias, A. Varykhalov, A. Romualdi,
L. V. Yashina, J. Min´ar, O. Kornilov, H. Ebert, K. Held, and J. Braun; PHYSICAL REVIEW B 95, 125405 (2017)

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Abstract_ICTF 17_11

Formation of gold nanoisland arrays by sputtering; V. Tvarozek, O. Szabo, I. Novotny, P. Sutta1; 

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pub1

Hyperfine fields in the BaFe2As2 family and their relation to the magnetic moment; Gerald Derondeau,Ján Minár, Hubert Ebert; PHYSICAL REVIEW B 94, 214508 (2016) 

DOI: 10.1103/PhysRevB.94.214508

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