Lista de obras - Audrius Alkauskas - Dominio Público Uruguay

A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion

artículo científico publicado en 2009

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

artículo científico publicado en 2010

Alignment of Defect Energy Levels at Si-SiO[sub 2] Interface from Hybrid Density Functional Calculations

artículo científico publicado en 2010

Alignment of hydrogen-related defect levels at the interface

artículo científico publicado en 2007

Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations

artículo científico publicado en 2008

Band alignments and defect levels in Si–HfO2 gate stacks: Oxygen vacancy and Fermi-level pinning

artículo científico publicado en 2008

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

artículo científico publicado en 2011

Calcium as a nonradiative recombination center in InGaN

artículo científico publicado en 2017

Capturing EELS in the reciprocal space

artículo científico publicado en 2011

Charge state of the O2 molecule during silicon oxidation through hybrid functional calculations

artículo científico publicado en 2008

Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2interface through hybrid functionals

artículo científico publicado en 2011

Charge transition levels of the Ge dangling bond defect at Ge/insulator interfaces

artículo científico publicado en 2008

Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”

artículo científico publicado en 2018

Conformational stability of bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-2,9-dione: ab initio calculations and vibrational spectroscopy studies

artículo científico publicado en 2001

Deep donor state of the copper acceptor as a source of green luminescence in ZnO

Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

artículo científico publicado en 2008

Defect Levels of the Ge Dangling Bond Defect

artículo científico publicado en 2010

Defect identification based on first-principles calculations for deep level transient spectroscopy

Defect levels of carbon-related defects at the SiC/SiO2interface from hybrid functionals

artículo científico publicado en 2011

Defect levels of dangling bonds in silicon and germanium through hybrid functionals

artículo científico publicado en 2008

Defect levels through hybrid density functionals: Insights and applications

artículo científico publicado en 2011

Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

scholarly article in Physical Review B, vol. 88 no. 19, November 2013

Effect of improved band-gap description in density functional theory on defect energy levels in -quartz

artículo científico publicado en 2007

Energy Level Alignment at Metal−Octaethylporphyrin Interfaces

artículo científico publicado en 2005

Energy levels of candidate defects at SiC∕SiO[sub 2] interfaces

artículo científico publicado en 2010

Erratum: Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels [Phys. Rev. B80, 085114 (2009)]

artículo científico publicado en 2010

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO2–HfO2 stack

artículo científico publicado en 2009

First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO

artículo científico publicado en 2012

First-Principles Calculations of Point Defects for Quantum Technologies

First-principles study of the mobility ofSrTiO3 ⬇️

article

First-principles theory of acceptors in nitride semiconductors

First-principles theory of nonradiative carrier capture via multiphonon emission ⬇️

artículo científico publicado en 2014

First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres ⬇️

artículo científico publicado en 2014

Gallium vacancy complexes as a cause of Shockley-Read-Hall recombination in III-nitride light emitters

scholarly article by Cyrus E. Dreyer et al published 4 April 2016 in Applied Physics Letters

Gaussian Form of Effective Core Potential and Response Function Basis Set Derived from Troullier−Martins Pseudopotential: Results for Ag and Au

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

artículo científico publicado en 2009

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

Li-related defects in ZnO: Hybrid functional calculations

artículo científico publicado en 2009

Measurement and Control of Single Nitrogen-Vacancy Center Spins above 600 K

Native point defects and impurities in hexagonal boron nitride

artículo científico publicado en 2018

Near-deterministic activation of room-temperature quantum emitters in hexagonal boron nitride

artículo científico publicado en 2018

Observation of Individual Molecules Trapped on a Nanostructured Insulator

artículo científico publicado en 2004

Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride.

artículo científico publicado en 2017

Photoinduced Modification of Single-Photon Emitters in Hexagonal Boron Nitride

artículo científico publicado en 2016

Protecting a Diamond Quantum Memory by Charge State Control

artículo científico publicado en 2017

Publisher's Note: “First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO2–HfO2 stack” [J. Appl. Phys. 105, 061603 (2009)]

artículo científico publicado en 2009

Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors ⬇️

artículo científico publicado en 2016

Sign reversal of drag in bilayer systems with in-plane periodic potential modulation

artículo científico publicado en 2002

Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride onAg(110): First-principles calculations

scholarly article in Physical Review B, vol. 73 no. 16, April 2006

Spinning up quantum defects in 2D materials

artículo científico publicado en 2020

Strain broadening of the 1042-nm zero phonon line of the NV− center in diamond: A promising spectroscopic tool for defect tomography

artículo científico publicado en 2017

Theoretical analysis of the momentum-dependent loss function of bulk Ag

Towards a Room-Temperature Spin Quantum Bus in Diamond via Electron Photoionization, Transport, and Capture ⬇️

artículo científico publicado en 2016

Tutorial: Defects in semiconductors—Combining experiment and theory

Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations

artículo científico publicado en 2018

Zn vacancy as a polaronic hole trap in ZnO

artículo científico publicado en 2017

Zn vacancy-donor impurity complexes in ZnO

artículo científico publicado en 2018

Lista de obras de Audrius Alkauskas

A hybrid density functional study of lithium in ZnO: Stability, ionization levels, and diffusion

A hybrid functional scheme for defect levels and band alignments at semiconductor-oxide interfaces

Alignment of Defect Energy Levels at Si-SiO[sub 2] Interface from Hybrid Density Functional Calculations

Alignment of hydrogen-related defect levels at the interface

Band Offsets at Semiconductor-Oxide Interfaces from Hybrid Density-Functional Calculations

Band alignments and defect levels in Si–HfO2 gate stacks: Oxygen vacancy and Fermi-level pinning

Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case

Calcium as a nonradiative recombination center in InGaN

Capturing EELS in the reciprocal space

Charge state of the O2 molecule during silicon oxidation through hybrid functional calculations

Charge transition levels of carbon-, oxygen-, and hydrogen-related defects at the SiC/SiO2interface through hybrid functionals

Charge transition levels of the Ge dangling bond defect at Ge/insulator interfaces

Comment on “Comparative study of ab initio nonradiative recombination rate calculations under different formalisms”

Conformational stability of bicyclo[3.3.1]nonane-2,6-dione and bicyclo[3.3.1]nonane-2,9-dione: ab initio calculations and vibrational spectroscopy studies

Deep donor state of the copper acceptor as a source of green luminescence in ZnO

Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

Defect Levels of the Ge Dangling Bond Defect

Defect identification based on first-principles calculations for deep level transient spectroscopy

Defect levels of carbon-related defects at the SiC/SiO2interface from hybrid functionals

Defect levels of dangling bonds in silicon and germanium through hybrid functionals

Defect levels through hybrid density functionals: Insights and applications

Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

Effect of improved band-gap description in density functional theory on defect energy levels in -quartz

Energy Level Alignment at Metal−Octaethylporphyrin Interfaces

Energy levels of candidate defects at SiC∕SiO[sub 2] interfaces

Erratum: Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels [Phys. Rev. B80, 085114 (2009)]

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO2–HfO2 stack

First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO

First-Principles Calculations of Point Defects for Quantum Technologies

First-principles study of the mobility ofSrTiO3 ⬇️

First-principles theory of acceptors in nitride semiconductors

First-principles theory of nonradiative carrier capture via multiphonon emission ⬇️

First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres ⬇️

Gallium vacancy complexes as a cause of Shockley-Read-Hall recombination in III-nitride light emitters

Gaussian Form of Effective Core Potential and Response Function Basis Set Derived from Troullier−Martins Pseudopotential: Results for Ag and Au

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

Iron as a source of efficient Shockley-Read-Hall recombination in GaN

Li-related defects in ZnO: Hybrid functional calculations

Measurement and Control of Single Nitrogen-Vacancy Center Spins above 600 K

Native point defects and impurities in hexagonal boron nitride

Near-deterministic activation of room-temperature quantum emitters in hexagonal boron nitride

Observation of Individual Molecules Trapped on a Nanostructured Insulator

Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride.

Photoinduced Modification of Single-Photon Emitters in Hexagonal Boron Nitride

Protecting a Diamond Quantum Memory by Charge State Control

Publisher's Note: “First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO2–HfO2 stack” [J. Appl. Phys. 105, 061603 (2009)]

Role of excited states in Shockley-Read-Hall recombination in wide-band-gap semiconductors ⬇️

Sign reversal of drag in bilayer systems with in-plane periodic potential modulation

Site-selective adsorption of naphthalene-tetracarboxylic-dianhydride onAg(110): First-principles calculations

Spinning up quantum defects in 2D materials

Strain broadening of the 1042-nm zero phonon line of the NV− center in diamond: A promising spectroscopic tool for defect tomography

Theoretical analysis of the momentum-dependent loss function of bulk Ag

Towards a Room-Temperature Spin Quantum Bus in Diamond via Electron Photoionization, Transport, and Capture ⬇️

Tutorial: Defects in semiconductors—Combining experiment and theory

Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations

Zn vacancy as a polaronic hole trap in ZnO

Zn vacancy-donor impurity complexes in ZnO