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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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Validity of perturbative methods to treat the spin-orbit interaction: application to magnetocrystalline anisotropy

New journal of physics, 2019-07, Vol.21 (7), p.73054

2019

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Ab initio study of the relationship between spontaneous polarization and p-type doping in quasi-freestanding graphene on H-passivated SiC surfaces

Carbon (New York), 2015-11, Vol.93, p.88-104

2015

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An ab initio study of the magnetic properties of strontium hexaferrite

Scientific reports, 2021-01, Vol.11 (1), p.1964-1964, Article 1964

2021

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Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ)2Mn Assembled on Cu(100)

Journal of physical chemistry. C, 2010-10, Vol.114 (40), p.17197-17204

2010

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CO-Assisted Subsurface Hydrogen Trapping in Pd(111) Films

The journal of physical chemistry letters, 2012-01, Vol.3 (1), p.87-91

2012

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Fully relativistic pseudopotential formalism under an atomic orbital basis: spin-orbit splittings and magnetic anisotropies

Journal of physics. Condensed matter, 2012-02, Vol.24 (8), p.086005-29

2012

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Evidence of large spin-orbit coupling effects in quasi-free-standing graphene on Pb/Ir(1 1 1)

2d materials, 2018-06, Vol.5 (3), p.35029

2018

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The structure of mixed H2O-OH monolayer films on Ru(0001)

The Journal of chemical physics, 2008-10, Vol.129 (15), p.154109-154109

2008

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A first principles study of thiol-capped Au nanoparticles: structural, electronic, and magnetic properties as a function of thiol coverage

The Journal of chemical physics, 2013-07, Vol.139 (3), p.034319-034319

2013

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Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs

Physical review. B, Condensed matter and materials physics, 2010-07, Vol.82 (4), Article 045117

2010

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Nexafs Study of Nitric Oxide Layers Adsorbed from a Nitrite Solution onto a Pt(111) Surface

Journal of physical chemistry. C, 2008-07, Vol.112 (27), p.10161-10166

2008

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Determining the structure of Ru(0 0 0 1) from low-energy electron diffraction of a single terrace

Surface science, 2006-05, Vol.600 (9), p.L105-L109

2006

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Lowest order in inelastic tunneling approximation: Efficient scheme for simulation of inelastic electron tunneling data

Physical review. B, Condensed matter and materials physics, 2013-06, Vol.87 (23), Article 235412

2013

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Structure and magnetism of ultra-thin chromium layers on W(110)

New journal of physics, 2008-01, Vol.10 (1), p.013005

2008

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Extended Hückel theory for band structure, chemistry, and transport. I. Carbon nanotubes

Journal of applied physics, 2006-08, Vol.100 (4)

2006

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Nature of interfacial Dzyaloshinskii-Moriya interactions in graphene/Co/Pt(111) multilayer heterostructures

Physical review. B, 2022-08, Vol.106 (6), Article 064426

2022

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Subsurface structure of epitaxial rare-earth silicides imaged by STM

Physical review. B, Condensed matter and materials physics, 2006-09, Vol.74 (12), Article 121404

2006

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Transport through small world networks

Journal of applied physics, 2007-07, Vol.102 (1), p.013707-013707-7

2007

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Significant negative differential resistance predicted in scanning tunneling spectroscopy for a C 60 monolayer on a metal surface

Physical review. B, Condensed matter and materials physics, 2009-08, Vol.80 (7), Article 075403

2009

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Role of volume versus defects in the electrical resistivity of lattice-distorted V(001) ultrathin films

Physical review. B, Condensed matter and materials physics, 2007-11, Vol.76 (19), Article 195451

2007

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Structure of ultrathin Pd films determined by low-energy electron microscopy and diffraction

New journal of physics, 2010-02, Vol.12 (2), p.023023

2010

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Behavioural symptoms in patients with Alzheimer's disease and their association with cognitive impairment

BMC neurology, 2010-09, Vol.10 (1), p.87-87, Article 87

2010

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Structure and stability of ultrathin Fe films on W(110)

Physical review. B, 2016-05, Vol.93 (19), Article 195423

2016

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Siesta: Recent developments and applications

Validity of perturbative methods to treat the spin-orbit interaction: application to magnetocrystalline anisotropy

Ab initio study of the relationship between spontaneous polarization and p-type doping in quasi-freestanding graphene on H-passivated SiC surfaces

An ab initio study of the magnetic properties of strontium hexaferrite

Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ)2Mn Assembled on Cu(100)

CO-Assisted Subsurface Hydrogen Trapping in Pd(111) Films

Fully relativistic pseudopotential formalism under an atomic orbital basis: spin-orbit splittings and magnetic anisotropies

Evidence of large spin-orbit coupling effects in quasi-free-standing graphene on Pb/Ir(1 1 1)

The structure of mixed H2O-OH monolayer films on Ru(0001)

A first principles study of thiol-capped Au nanoparticles: structural, electronic, and magnetic properties as a function of thiol coverage

Enhanced electron correlations, local moments, and Curie temperature in strained MnAs nanocrystals embedded in GaAs

Nexafs Study of Nitric Oxide Layers Adsorbed from a Nitrite Solution onto a Pt(111) Surface

S iesta : Recent developments and applications

Determining the structure of Ru(0 0 0 1) from low-energy electron diffraction of a single terrace

Lowest order in inelastic tunneling approximation: Efficient scheme for simulation of inelastic electron tunneling data

Structure and magnetism of ultra-thin chromium layers on W(110)

Extended Hückel theory for band structure, chemistry, and transport. I. Carbon nanotubes

Nature of interfacial Dzyaloshinskii-Moriya interactions in graphene/Co/Pt(111) multilayer heterostructures

Subsurface structure of epitaxial rare-earth silicides imaged by STM

Transport through small world networks

Significant negative differential resistance predicted in scanning tunneling spectroscopy for a C 60 monolayer on a metal surface

Role of volume versus defects in the electrical resistivity of lattice-distorted V(001) ultrathin films

Structure of ultrathin Pd films determined by low-energy electron microscopy and diffraction

Behavioural symptoms in patients with Alzheimer's disease and their association with cognitive impairment

Structure and stability of ultrathin Fe films on W(110)

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