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“Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials”, Physical Chemistry Chemical Physics, vol. 20, pp. 14557-14563, 2018.
, “Is it possible to stabilize the 1144-phase pnictides with tri-valence cations?”, Physical Review Materials, vol. 2, p. 104802, 2018.
, “Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects”, Journal of Physics-Condensed Matter, vol. 30, p. 195801, 2018.
, “Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations”, Physical Review Materials, vol. 2, p. 084410, 2018.
, “New structures of Fe3S for rare-earth-free permanent magnets”, Journal of Physics D-Applied Physics, vol. 51, p. 075001, 2018.
, “Prediction of novel stable Fe-V-Si ternary phase”, Journal of Alloys and Compounds, vol. 732, pp. 567-572, 2018.
, “Pressure-induced multiple phase transformations of the BaBi3 superconductor”, Physical Review B, vol. 98, p. 214509, 2018.
, “Stability of the 1144 phase in iron pnictides”, Physical Review B, vol. 97, p. 094105, 2018.
, “Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations”, Journal of Applied Physics, vol. 124, p. 073901, 2018.
, “Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3”, Physical Review B, vol. 97, p. 184401, 2018.
, “Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets”, Physical Review Applied, vol. 8, p. 054016, 2017.
, “Elastic and electronic tuning of magnetoresistance in MoTe2”, Science Advances, vol. 3, p. eaao4949, 2017.
, “Electronic structure, optical and magnetic studies of PLD-grown (Mn, P)-doped ZnO nanocolumns at room temperature”, Journal of Physics D-Applied Physics, vol. 50, p. 295002, 2017.
, “Exploring new phases of Fe3-xCoxC for rare-earth-free magnets”, Journal of Physics D-Applied Physics, vol. 50, p. 215005, 2017.
, “Growth and characterization of BaZnGa”, Philosophical Magazine, vol. 97, pp. 3317-3324, 2017.
, “Highly responsive ground state of PbTaSe2: Structural phase transition and evolution of superconductivity under pressure”, Physical Review B, vol. 95, p. 224508, 2017.
, “Role of Surface Stress on the Reactivity of Anatase TiO2(001)”, Journal of Physical Chemistry Letters, vol. 8, pp. 1764-1771, 2017.
, “A scheme for the generation of Fe-P networks to search for low-energy LiFePO4 crystal structures”, Journal of Materials Chemistry A, vol. 5, pp. 14611-14618, 2017.
, “Structural hierarchy as a key to complex phase selection in Al-Sm”, Physical Review Materials, vol. 1, p. 055601, 2017.
, “Structural hierarchy as a key to complex phase selection in Al-Sm”, Physical Review Materials, vol. 1, p. 055601, 2017.
, “Structures of defects on anatase TiO2(001) surfaces”, Nanoscale, vol. 9, pp. 11553-11565, 2017.
, “Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations”, Physical Review B, vol. 96, p. 024422, 2017.
, “= 3)”, Apl Materials, vol. 4, p. 116109, 2016.
, “Crystal structure and magnetic properties of new Fe3Co3X2 (X = Ti, Nb) intermetallic compounds”, Journal of Physics D-Applied Physics, vol. 49, p. 175002, 2016.
, “Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe3 under Pressure”, Physical Review Letters, vol. 117, p. 037207, 2016.
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