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|
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|
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The electronic structure and band gaps in transition metal compounds
|
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|
February 1986 |
Quasiparticle energy bands of transition-metal oxides within a model GW scheme
|
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|
May 1997 |
Cohesion energetics of carbon allotropes: Quantum Monte Carlo study
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|
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Projector augmented-wave method
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Stability and magnetism of vacancy in NiO: A GGA+U study
|
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Band gaps and electronic structure of transition-metal compounds
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Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide
|
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|
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|
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Control of Doping by Impurity Chemical Potentials: Predictions for -Type ZnO
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|
June 2001 |
Transparent p-type conducting K-doped NiO films deposited by pulsed plasma deposition
|
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July 2012 |
From ultrasoft pseudopotentials to the projector augmented-wave method
|
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January 1999 |
Enhanced conductivity and gating effect of p-type Li-doped NiO nanowires
|
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|
January 2014 |
Fixed‐node quantum Monte Carlo for molecules a) b)
|
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|
December 1982 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
|
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January 1998 |
Ground state of a spin-crossover molecule calculated by diffusion Monte Carlo
|
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|
May 2013 |
Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo
|
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|
April 2015 |
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
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August 1995 |
Electronic structure of Li-doped NiO
|
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January 1992 |
Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods
|
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|
November 2014 |
The Importance of Being Inconsistent
|
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Character of Holes in and Their Magnetic Behavior
|
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January 1989 |
Density functional theory is straying from the path toward the exact functional
|
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|
January 2017 |
Copper doped nickel oxide transparent p-type conductive thin films deposited by pulsed plasma deposition
|
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March 2011 |
Nickel K-edge x-ray absorption fine structure of lithium nickel oxides
|
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May 1993 |
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO
|
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October 2015 |
Electronic, electrical and optical properties of undoped and Na-doped NiO thin films
|
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September 2015 |
Origins of the doping asymmetry in oxides: Hole doping in NiO versus electron doping in ZnO
|
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June 2007 |
Finite-Size Error in Many-Body Simulations with Long-Range Interactions
|
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August 2006 |
The Basis of the Electron Theory of Metals, with Special Reference to the Transition Metals
|
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July 1949 |
Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo
|
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May 2016 |
Finite-size errors in continuum quantum Monte Carlo calculations
|
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September 2008 |
Valence-band photoemission and optical absorption in nickel compounds
|
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July 1984 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
|
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July 1996 |
Electronic structure of NiO
|
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May 1986 |
First-principles study on transition metal-doped anatase TiO2
|
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January 2014 |
Local correlations and hole doping in NiO: A dynamical mean-field study
|
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April 2007 |
Electrical properties of Li-doped NiO films
|
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January 2010 |
Transparent conducting p-type NiO thin films prepared by magnetron sputtering
|
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December 1993 |
Effect of Li doping in NiO thin films on its transparent and conducting properties and its application in heteroepitaxial p-n junctions
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October 2010 |
Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides
|
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August 2017 |
Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles
|
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January 2012 |
Noncovalent Interactions by Quantum Monte Carlo
|
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April 2016 |
Hybrid algorithms in quantum Monte Carlo
|
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December 2012 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
|
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May 1994 |
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus
|
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November 2015 |
Band theory and Mott insulators: Hubbard U instead of Stoner I
|
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July 1991 |
Enhanced p-type conductivity and band gap narrowing in heavily Al doped NiO thin films deposited by RF magnetron sputtering
|
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February 2009 |
LixNi1−xO (0<x≤0.3) solid solutions: formation, structure and transport properties
|
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December 2003 |
Applications of quantum Monte Carlo methods in condensed systems
|
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January 2011 |
Ab initio molecular simulations with numeric atom-centered orbitals
|
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|
November 2009 |
Nonstoichiometry and hole doping in NiO
- Osorio-Guillén, Jorge; Lany, Stephan; Zunger, Alex
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PHYSICS OF SEMICONDUCTORS: 29th International Conference on the Physics of Semiconductors, AIP Conference Proceedings
https://doi.org/10.1063/1.3295330
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conference
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January 2010 |
On the interpretation of valence band photoemission spectra of NiO
|
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April 1984 |
Self-interaction correction to density-functional approximations for many-electron systems
|
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May 1981 |
Nature of the hole states in Li-doped NiO
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March 2012 |
Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions
|
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June 2014 |
Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard Approach
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September 2006 |
Phase stability of TiO 2 polymorphs from diffusion Quantum Monte Carlo
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November 2016 |
Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction
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April 2020 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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May 2021 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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February 2020 |
LixNi1-xO (0 < x ≤ 0.3) Solid Solutions: Formation, Structure and Transport Properties
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June 2004 |
Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides
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text
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Cohesion Energetics of Carbon Allotropes : Quantum Monte Carlo Study
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text
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Ab initio quantum Monte Carlo calculations of spin superexchange in cuprates: the benchmarking case of Ca$_2$CuO$_3$
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The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus
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text
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Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo
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text
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January 2016 |
The Finite Size Error in Many-body Simulations with long-Ranged Interactions
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text
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January 2006 |
Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach
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text
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January 2006 |
Local correlations and hole doping in NiO: a dynamical mean field study
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text
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January 2006 |