Generalized Gradient Approximation Made Simple
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October 1996 |
Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
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July 2004 |
Effect of stoichiometry on oxygen incorporation in MgB 2 thin films
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December 2007 |
Electron density images from imperfect data by iterative entropy maximization
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July 1982 |
Projector augmented-wave method
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December 1994 |
Hybrid functionals based on a screened Coulomb potential
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May 2003 |
Screened hybrid density functionals applied to solids
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April 2006 |
Ultrathin MgB 2 films fabricated on Al 2 O 3 substrate by hybrid physical–chemical vapor deposition with high T c and J c
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December 2010 |
Imperfect Crystal and Unusual Semiconductor: Boron, a Frustrated Element
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February 2009 |
A grid-based Bader analysis algorithm without lattice bias
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January 2009 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
The effect of oxygenation on the superconducting properties of MgB2 thin films
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January 2005 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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October 2011 |
Electronic and dynamical properties of the surface: Implications for the superconducting properties
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November 2002 |
Energy gap from tunneling and metallic contacts onto Possible evidence for a weakened surface layer
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May 2001 |
Symmetry-broken crystal structure of elemental boron at low temperature
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February 2008 |
Tuning MgB (0001) surface states through surface termination
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September 2011 |
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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June 2006 |
Specific heat in the superconducting and normal state (2–300 K, 0–16 T), and magnetic susceptibility of the 38 K superconductor MgB2: evidence for a multicomponent gap
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June 2001 |
Bonding Nature in MgB 2
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August 2001 |
Structure analysis of new superconductor MgB 2
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April 2001 |
Spectroscopic evidence for anisotropic s -wave pairing symmetry in
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November 2001 |
First-principles study of (0001) surfaces
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February 2002 |
Surface states and their possible role in the superconductivity of
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October 2002 |
Type-1.5 Superconductivity
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March 2009 |
A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration
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March 2013 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Tunneling spectroscopy and magnetization measurements of the superconducting properties of
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May 2001 |
Self-Consistent Equations Including Exchange and Correlation Effects
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November 1965 |
Geometrical frustration in an elemental solid: An Ising model to explain the defect structure of -rhombohedral boron
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January 2010 |
Thermodynamic stability of transition metals on the Mg-terminated (0001) surface and their effects on hydrogen dissociation and diffusion
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April 2015 |
The crystal structure of a simple rhombohedral form of boron
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July 1959 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
The effect of the Perdew-Zunger self-interaction correction to density functionals on the energetics of small molecules
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September 2012 |
Direct observation of nanometer-scale Mg- and B-oxide phases at grain boundaries in MgB2
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September 2001 |
Surface and image-potential states on surfaces
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October 2001 |
Van der Waals heterostructures
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July 2013 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Beyond Eliashberg Superconductivity in : Anharmonicity, Two-Phonon Scattering, and Multiple Gaps
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August 2001 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
Specific Heat of : Evidence for a Second Energy Gap
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July 2001 |
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
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March 1999 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
Soft-x-ray spectroscopy measurements of the -like density of states of B in and evidence for surface boron oxides on exposed surfaces
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August 2001 |
Scanning Tunneling Spectroscopy in
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May 2001 |
Lattice properties of versus temperature and pressure
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May 2001 |
Tunneling Spectroscopy in Small Grains of Superconducting
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June 2001 |
Quasiparticle state density on the surface of superconducting thin films of MgB 2
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December 2002 |
The bond ionicity of MB 2 (M = Mg, Ti, V, Cr, Mn, Zr, Hf, Ta, Al and Y)
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July 2001 |
Rationale for mixing exact exchange with density functional approximations
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December 1996 |
Superconductivity of : Covalent Bonds Driven Metallic
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May 2001 |
Auger electron spectroscopy study of MgB2 surface
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January 2003 |
The origin of the anomalous superconducting properties of MgB2
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August 2002 |
Growth of high-quality large-area MgB 2 thin films by reactive evaporation
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March 2006 |
Coexistence of covalent and metallic bonding in the boron intercalation superconductor
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August 2001 |
Tunneling and electronic structure of the two-gap superconductor
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August 2015 |
Single-crystal MgB2 hexagonal microprisms via hybrid physical-chemical vapor deposition
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January 2011 |