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Effect of oxygen contamination on structural and magnetic properties of MnPd bilayer grown on Fe/MgO(001): Ab initio study

The European physical journal. B, Condensed matter physics, 2022, Vol.95 (1), Article 14

2022

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Isocyanic acid (HNCO) dissociation on Rh(001) surface: A DFT study with and without dispersion correction

Surface science, 2021-07, Vol.709, p.121744, Article 121744

2021

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Ni thin-films on Pd surfaces and effects of oxygen adsorption: Ab-initio study of structures, electronic properties, magnetic anisotropy

Surface science, 2024-12, Vol.750, p.122570, Article 122570

2024

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p-n junction from localized doping of metal-WSe2 contact with N2H4, NH4 and BF4 molecules: A first-principles investigation

Physica. B, Condensed matter, 2024-03, Vol.676, p.415538, Article 415538

2024

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Copper-phthalocyanine (CuPc) and O, Li and Mn adatoms on graphene substrate: First-principles study of stability, magnetism and electronic properties

Surface science, 2022-05, Vol.719, p.122023, Article 122023

2022

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Density functional theory (DFT) investigation of the adsorption of the CH3OH/Au(100) system

Surface and interface analysis, 2013-09, Vol.45 (9), p.1410-1418

2013

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Magnetism at the V/Gd interface

Journal of physics. Condensed matter, 2010-05, Vol.22 (18), p.186003-186003

2010

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Structural, magnetic and electronic properties of copper-phthalocyanine (CuPc) adsorbed on graphene: Ab initio studies

Journal of molecular structure, 2020-07, Vol.1211, p.128034, Article 128034

2020

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Ferrimagnetic mixed Ising spin (7/2, 1/2) system: By Mean Field Theory, exact recursion relations and Monte Carlo method

Physica. B, Condensed matter, 2022-03, Vol.628, p.413627, Article 413627

2022

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Ground state structural, electronic and magnetic properties of Mg-doped LaMnO3 perovskite: GGA+U study

Computational Condensed Matter, 2023-12, Vol.37, Article e00838

2023

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A DFT investigation of methane molecular adsorption on Pt(1 0 0)

Surface science, 2005-12, Vol.594 (1), p.231-239

2005

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Theoretical insights into magnetization in graphene containing single and interacting nanoporous defects

Physica. E, Low-dimensional systems & nanostructures, 2021-04, Vol.128, p.114564, Article 114564

2021

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MAGNETIC PROPERTIES OF Fe DEPOSITED ON W(110) SURFACE: EFFECTS OF O CONTAMINATION AND O 2 ADSORPTION

Surface review and letters, 2017-01, Vol.24 (1), p.1750009

2017

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Adsorption of Br2 molecule on the Fe/W(110) substrate: Energetics, electronic and magnetic properties

Computational Condensed Matter, 2020-06, Vol.23, Article e00465

2020

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Influence of Nitrogen and Boron on the magnetization of nanoporous graphene : A first-principle investigation

Computational Condensed Matter, 2022-03, Vol.30, p.e00603, Article e00603

2022

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Pressure-induced phase transition in magnetoresistance perovskite La0.75Ca0.25MnO3: a GGA + U study

Journal of physics communications, 2021-07, Vol.5 (7)

2021

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Interlayer exchange coupling of thin equiatomic magnetic FeMn films through Cu spacer

Physica. B, Condensed matter, 2009-05, Vol.404 (8), p.1365-1372

2009

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First-principles studies of SnS2, MoS2 and WS2 stacked van der Waals hetero-multilayers

Computational Condensed Matter, 2018-09, Vol.16, p.e00303, Article e00303

2018

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The magnetic map of NiMn alloy thin films on Co(0 0 1) and Co(1 1 1)

Surface science, 2006-05, Vol.600 (9), p.1763-1770

2006

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Short-range induced ferromagnetism in Mn thin films on Co( [formula omitted])

Surface science, 2002-10, Vol.518 (1), p.104-110

2002

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Magnetic map of Mn-based thin films on Ni/Cu

Physical review. B, Condensed matter and materials physics, 2010-01, Vol.81 (2), Article 024402

2010

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The magnetic map of FeMn alloy thin films on Co( [formula omitted]) and Co/FeMn/Co( [formula omitted]) trilayers

Surface science, 2003-12, Vol.547 (1), p.201-209

2003

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Magnetic map of MnPd overlayers on Co(001) and Co(111): Ab initio studies

Surface science, 2013-07, Vol.613, p.80-87

2013

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Ferromagnetic ground state for Mn-Co surface ordered alloy on a Co(001) substrate

Physical review. B, Condensed matter, 2002-01, Vol.65 (1), Article 012414

2002

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The magnetic map of thin Mn overlayers on Ni(0 0 1)

Journal of magnetism and magnetic materials, 2004-05, Vol.272-276, p.1215-1216

2004

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Effect of oxygen contamination on structural and magnetic properties of MnPd bilayer grown on Fe/MgO(001): Ab initio study

Isocyanic acid (HNCO) dissociation on Rh(001) surface: A DFT study with and without dispersion correction

Ni thin-films on Pd surfaces and effects of oxygen adsorption: Ab-initio study of structures, electronic properties, magnetic anisotropy

p-n junction from localized doping of metal-WSe2 contact with N2H4, NH4 and BF4 molecules: A first-principles investigation

Copper-phthalocyanine (CuPc) and O, Li and Mn adatoms on graphene substrate: First-principles study of stability, magnetism and electronic properties

Density functional theory (DFT) investigation of the adsorption of the CH3OH/Au(100) system

Magnetism at the V/Gd interface

Structural, magnetic and electronic properties of copper-phthalocyanine (CuPc) adsorbed on graphene: Ab initio studies

Ferrimagnetic mixed Ising spin (7/2, 1/2) system: By Mean Field Theory, exact recursion relations and Monte Carlo method

Ground state structural, electronic and magnetic properties of Mg-doped LaMnO3 perovskite: GGA+U study

A DFT investigation of methane molecular adsorption on Pt(1 0 0)

Theoretical insights into magnetization in graphene containing single and interacting nanoporous defects

MAGNETIC PROPERTIES OF Fe DEPOSITED ON W(110) SURFACE: EFFECTS OF O CONTAMINATION AND O 2 ADSORPTION

Adsorption of Br2 molecule on the Fe/W(110) substrate: Energetics, electronic and magnetic properties

Influence of Nitrogen and Boron on the magnetization of nanoporous graphene : A first-principle investigation

Pressure-induced phase transition in magnetoresistance perovskite La0.75Ca0.25MnO3: a GGA + U study

Interlayer exchange coupling of thin equiatomic magnetic FeMn films through Cu spacer

First-principles studies of SnS2, MoS2 and WS2 stacked van der Waals hetero-multilayers

The magnetic map of NiMn alloy thin films on Co(0 0 1) and Co(1 1 1)

Short-range induced ferromagnetism in Mn thin films on Co( [formula omitted])

Magnetic map of Mn-based thin films on Ni/Cu

The magnetic map of FeMn alloy thin films on Co( [formula omitted]) and Co/FeMn/Co( [formula omitted]) trilayers

Magnetic map of MnPd overlayers on Co(001) and Co(111): Ab initio studies

Ferromagnetic ground state for Mn-Co surface ordered alloy on a Co(001) substrate

The magnetic map of thin Mn overlayers on Ni(0 0 1)

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