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Filters: Keyword is total-energy calculations and Author is Ho, K. M. [Clear All Filters]
“Magnetocrystalline anisotropy in YCo5 and ZrCo5 compounds from first-principles real-space pseudopotentials calculations”, Physical Review Materials, vol. 2, p. 084410, 2018.
, “Molecular dynamics simulation of the solid-liquid interface migration in terbium”, Journal of Chemical Physics, vol. 148, p. 214705, 2018.
, “New structures of Fe3S for rare-earth-free permanent magnets”, Journal of Physics D-Applied Physics, vol. 51, p. 075001, 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.
, “Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials”, Journal of Physical Chemistry C, vol. 122, pp. 5057-5063, 2018.
, “An Efficient Scheme for Crystal Structure Prediction Based on Structural Motifs”, Journal of Physical Chemistry C, vol. 121, pp. 11891-11896, 2017.
, “Fe-Cluster Compounds of Chalcogenides: Candidates for Rare-Earth-Free Permanent Magnet and Magnetic Nodal-Line Topological Material”, Inorganic Chemistry, vol. 56, pp. 14577-14583, 2017.
, “Novel penta-graphene nanotubes: strain-induced structural and semiconductor-metal transitions”, Nanoscale, vol. 9, pp. 19310-19317, 2017.
, “Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations”, Physical Review B, vol. 96, p. 024422, 2017.
, “Temperature-dependent structure evolution in liquid gallium”, Acta Materialia, vol. 128, pp. 304-312, 2017.
, “Theoretical search for possible Au-Si crystal structures using a genetic algorithm”, Physical Review B, vol. 95, p. 134109, 2017.
, “Electronic and optical properties of novel carbon allotropes”, Carbon, vol. 101, pp. 77-85, 2016.
, “Interplay between surface and surface resonance states on height selective stability of fcc Dy(111) film at nanoscale”, Physical Chemistry Chemical Physics, vol. 18, pp. 31238-31243, 2016.
, “Large magnetic anisotropy predicted for rare-earth-free Fe16-xCoxN2 alloys”, Physical Review B, vol. 94, p. 224424, 2016.
, “Metal intercalation-induced selective adatom mass transport on graphene”, Nano Research, vol. 9, pp. 1434-1441, 2016.
, “Metastable cobalt nitride structures with high magnetic anisotropy for rare-earth free magnets”, Physical Chemistry Chemical Physics, vol. 18, pp. 31680-31690, 2016.
, “Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 cathode”, Electrochimica Acta, vol. 212, pp. 934-940, 2016.
, “Charge oscillations and interaction between potassium adatoms on graphene studied by first-principles calculations”, Physical Review B, vol. 91, p. 035415, 2015.
, “Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme”, Scientific Reports, vol. 5, p. 15555, 2015.
, “Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations”, Journal of Applied Physics, vol. 117, p. 243902, 2015.
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