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RESEARCH PAPER · Crystal Growth & Design · 2022

Crystal-Structure Prediction and Experimental Investigation of the Polymorphic Lanthanum Fluoride Selenides LaFSe and La 2 F 4 Se

Constantin Buyer, Hagen Grossholz, Sarah Wolf, Dejan Zagorac, Jelena Zagorac, Johann Christian Schön, Thomas Schleid

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Crystal-Structure Prediction and Experimental Investigation of the Polymorphic Lanthanum Fluoride Selenides LaFSe and La 2 F 4 SeOriginalEnhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite13Data-driven discovery and DFT modeling of Fe4H on the atomistic level1Mechanical properties and behavior of the Ti–45Nb alloy subjected to extreme conditions9Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe13Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system11Structures, Phase Stability, Amorphization, and Decomposition of V6O13 at High Pressures and Temperatures: Synthesis of Rutile-Related V0.92O26Properties of La2F4Se, B–LaFSe phases. Phase diagram of the LaF3–La2Se3 system6High-pressure behavior of high-entropy A2B2O7 pyrochlore8Synthesis of Two Structurally Different MgO Films Containing Dioxygen Species: Dioxygen Embedded at Grain Boundaries, and as Components of a Superfilled Rock Salt Structure10A multi-disciplinary study of yttrium effect on the electronic structure of hafnia6Synthesis, Structural and Magnetic Properties of BiFeO3 Substituted with Ag4Structural exploration of holmium fluoride selenide (HoFSe): theory and experiment3Structural chemistry and applications of heteroanionic rare-earth metal chalcogenide halides1

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  1. Enhancement of weak ferromagnetism, exotic structure prediction and diverse electronic properties in holmium substituted multiferroic bismuth ferrite

    Physical Chemistry Chemical Physics · 2023-01-01

    Maria Čebela, Dejan Zagorac, Igor Popov, Filip Torić, Teodoro Klaser, Željko Skoko, Damir Pajić

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  2. Data-driven discovery and DFT modeling of Fe4H on the atomistic level

    Procedia Structural Integrity · 2024-01-01

    Dejan Zagorac, Jelena Zagorac, Milos B. Djukic, Burak Bal, Johann Christian Schön

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  3. Mechanical properties and behavior of the Ti–45Nb alloy subjected to extreme conditions

    CrystEngComm · 2024-01-01

    Dejan Zagorac, Dasari L. V. K. Prasad, Tamara Škundrić, Kedar Yadav, Surender Singh, Slađana Laketić, Jelena Zagorac, Miloš D. Momčilović, Ivana Cvijović‐Alagić

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  4. Band-Gap Engineering and Unusual Behavior of Electronic Properties during Anion Substitution of Sulfur in LaFSe

    Crystal Growth & Design · 2024-02-02

    Dejan Zagorac, Constantin Buyer, Jelena Zagorac, Tamara Škundrić, Johann Christian Schön, Thomas Schleid

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  5. Synthesis and properties of the NdSF compound, phase diagram of the NdF3–Nd2S3 system

    Journal of Solid State Chemistry · 2024-02-24

    V.M. Grigorchenko, Мaxim S. Моlokeev, Aleksandr S. Oreshonkov, Aleksandr S. Aleksandrovsky, Alexander V. Kertman, M.U. Abulkhaev, Andrey S. Mereshchenko, I.O. Yurev, Nikita А. Shulaev, D.N. Kamaev, Andrey Vladimirovich Elyshev, O.V. Andreev

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  6. Structures, Phase Stability, Amorphization, and Decomposition of V6O13 at High Pressures and Temperatures: Synthesis of Rutile-Related V0.92O2

    Crystal Growth & Design · 2024-06-13

    Andrzej Grzechnik, Branislav Viliam Hakala, Sophia Kurig, Nicolas P. Walte, Noriyoshi Tsujino, Sho Kakizawa, Yuji Higo, Dejan Zagorac, Jelena Zagorac, Richard Dronskowski, Johann Christian Schön, Karen Friese

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  7. Properties of La2F4Se, B–LaFSe phases. Phase diagram of the LaF3–La2Se3 system

    Journal of Solid State Chemistry · 2024-07-04

    V.M. Grigorchenko, Мaxim S. Моlokeev, I.O. Yurev, Aleksandr S. Aleksandrovsky, Aleksandr S. Oreshonkov, А. С. Крылов, N.V. Nesterova, D.N. Kamaev, Andrey Vladimirovich Elyshev, O.V. Andreev

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  8. High-pressure behavior of high-entropy A2B2O7 pyrochlore

    Ceramics International · 2024-10-09

    Branko Z. Matović, Nadezhda M. Belozerova, Denis P. Kozlenko, Ivan Yu. Zel, Jelena Maletaškić, Dejan Zagorac, Svetlana Butulija, Ivana Cvijović‐Alagić

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  9. Synthesis of Two Structurally Different MgO Films Containing Dioxygen Species: Dioxygen Embedded at Grain Boundaries, and as Components of a Superfilled Rock Salt Structure

    Coatings · 2024-12-13

    D. Fischer, Dejan Zagorac, Kathrin Küster, Johann Christian Schön

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  10. A multi-disciplinary study of yttrium effect on the electronic structure of hafnia

    Journal of Alloys and Compounds · 2024-12-27

    Dejan Zagorac, Matej Fonović, Svetlana Butulija, Aleksa Luković, Vesna M. MAKSIMOVIĆ, Jelena Zagorac, Branko Z. Matović

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  11. Synthesis, Structural and Magnetic Properties of BiFeO3 Substituted with Ag

    Materials · 2025-03-25

    Maria Čebela, Pavla Šenjug, Dejan Zagorac, Igor Popov, Jelena Zagorac, Milena Rosić, Damir Pajić

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  12. Structural exploration of holmium fluoride selenide (HoFSe): theory and experiment

    Journal of Physics and Chemistry of Solids · 2025-07-02

    Milan Pejić, Dirk D. Zimmermann, Dejan Zagorac, Matej Fonović, Jelena Zagorac, Johann Christian Schön, Thomas Schleid

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  13. Structural chemistry and applications of heteroanionic rare-earth metal chalcogenide halides

    Elsevier eBooks · 2026-01-01

    Thimira Kandabadage, Sviatoslav Baranets

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