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1

Photoinduced Modification of Single-Photon Emitters in Hexagonal Boron Nitride

Shotan, Zav, Jayakumar, Harishankar, Considine, Christopher R., Mackoit, Mažena, Fedder, Helmut, Wrachtrup, Jörg, Alkauskas, Audrius, Doherty, Marcus W., Menon, Vinod M., Meriles, Carlos A.

Journal:

Year:

2016

Language:

english

File:

PDF, 2.69 MB

english, 2016

2

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

Proscia, Nicholas V., Shotan, Zav, Jayakumar, Harishankar, Reddy, Prithvi, Cohen, Charles, Dollar, Michael, Alkauskas, Audrius, Doherty, Marcus, Meriles, Carlos A., Menon, Vinod M.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.76 MB

english, 2018

3

Spin coherent quantum transport of electrons between defects in diamond

Oberg, Lachlan M., Huang, Eric, Reddy, Prithvi M., Alkauskas, Audrius, Greentree, Andrew D., Cole, Jared H., Manson, Neil B., Meriles, Carlos A., Doherty, Marcus W.

Journal:

Year:

2019

File:

PDF, 761 KB

2019

4

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

Peter Broqvist, Audrius Alkauskas, Alfredo Pasquarello

Journal:

Materials Science in Semiconductor Processing

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008

5

Alignment of hydrogen-related defect levels at the interface

Audrius Alkauskas, Alfredo Pasquarello

Journal:

Physica B: Condensed Matter

Year:

2007

Language:

english

File:

PDF, 142 KB

english, 2007

6

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

Audrius Alkauskas, Alfredo Pasquarello

Journal:

Physica B: Condensed Matter

Year:

2007

Language:

english

File:

PDF, 136 KB

english, 2007

7

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

Peter Broqvist, Audrius Alkauskas, Alfredo Pasquarello

Journal:

physica status solidi (a)

Year:

2010

Language:

english

File:

PDF, 274 KB

english, 2010

8

Defect levels through hybrid density functionals: Insights and applications

Audrius Alkauskas, Peter Broqvist, Alfredo Pasquarello

Journal:

physica status solidi (b)

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

9

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

Alkauskas, Audrius, Pasquarello, Alfredo, Broqvist, Peter

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 197 KB

english, 2008

10

interface through hybrid functionals

Devynck, Fabien, Alkauskas, Audrius, Broqvist, Peter, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

11

interface from hybrid functionals

Devynck, Fabien, Alkauskas, Audrius, Broqvist, Peter, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

12

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Time-Dependent Density Functional Study on the Excitation Spectrum of Point Defects in Semiconductors

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 197 KB

english, 2011

13

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

Alkauskas, Audrius, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 381 KB

english, 2011

14

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

Alkauskas, Audrius, Broqvist, Peter, Pasquarello, Alfredo

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 178 KB

english, 2008

15

Band alignments and defect levels in SiâHfO[sub 2] gate stacks: Oxygen vacancy and Fermi-level pinning

Broqvist, Peter, Alkauskas, Audrius, Pasquarello, Alfredo

Journal:

Applied Physics Letters

Year:

2008

Language:

english

File:

PDF, 600 KB

english, 2008

16

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

Alkauskas, Audrius, Broqvist, Peter, Devynck, Fabien, Pasquarello, Alfredo

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 247 KB

english, 2008

17

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

Alkauskas, Audrius, Lyons, John L., Steiauf, Daniel, Van de Walle, Chris G.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 329 KB

english, 2012

18

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

Alkauskas, Audrius, Schneider, Simon D., Hébert, Cécile, Sagmeister, Stephan, Draxl, Claudia

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 2.58 MB

english, 2013

19

First-principles theory of nonradiative carrier capture via multiphonon emission

Alkauskas, Audrius, Yan, Qimin, Van de Walle, Chris G.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 639 KB

english, 2014

20

molecule during silicon oxidation through hybrid functional calculations

Alkauskas, Audrius, Broqvist, Peter, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 117 KB

english, 2008

21

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

Broqvist, Peter, Alkauskas, Audrius, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 249 KB

english, 2009

22

: First-principles calculations

Alkauskas, Audrius, Baratoff, Alexis, Bruder, C.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 688 KB

english, 2006

23

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

Alkauskas, Audrius, Flensberg, Karsten, Hu, Ben Yu-Kuang, Jauho, Antti-Pekka

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 72 KB

english, 2002

24

Publisher's Note: “First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO[sub 2]–HfO[sub 2] stack” [J. Appl. Phys. 105, 061603 (2009)]

Broqvist, Peter, Alkauskas, Audrius, Godet, Julien, Pasquarello, Alfredo

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 290 KB

english, 2009

25

First principles investigation of defect energy levels at semiconductor-oxide interfaces: Oxygen vacancies and hydrogen interstitials in the Si–SiO[sub 2]–HfO[sub 2] stack

Broqvist, Peter, Alkauskas, Audrius, Godet, Julien, Pasquarello, Alfredo

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 480 KB

english, 2009

26

First-principles study of the mobility of

Himmetoglu, Burak, Janotti, Anderson, Peelaers, Hartwin, Alkauskas, Audrius, Van de Walle, Chris G.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 425 KB

english, 2014

27

Erratum: Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels [Phys. Rev. B 80 , 085114 (2009)]

Broqvist, Peter, Alkauskas, Audrius, Pasquarello, Alfredo

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 30 KB

english, 2010

28

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || LDA + U and Hybrid Functional Calculations for Defects in ZnO, SnO2, and TiO2

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 148 KB

english, 2011

29

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Front Matter

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 105 KB

english, 2011

30

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Accurate Treatment of Solids with the HSE Screened Hybrid

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 136 KB

english, 2011

31

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Predicting Polaronic Defect States by Means of Generalized Koopmans Density Functional Calculations

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 258 KB

english, 2011

32

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Accelerating GW Calculations with Optimal Polarizability Basis

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 274 KB

english, 2011

33

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Defect Levels Through Hybrid Density Functionals: Insights and Applications

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 332 KB

english, 2011

34

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Calculation of Semiconductor Band Structures and Defects by the Screened Exchange Density Functional

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 225 KB

english, 2011

35

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Electronic Properties of Interfaces and Defects from Many-Body Perturbation Theory: Recent Developments and Applications

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 374 KB

english, 2011

36

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Advances in Electronic Structure Methods for Defects and Impurities in Solids

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 189 KB

english, 2011

37

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Accuracy of Quantum Monte Carlo Methods for Point Defects in Solids

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 133 KB

english, 2011

38

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

Alkauskas, Audrius, Buckley, Bob B, Awschalom, David D, Van de Walle, Chris G

Journal:

New Journal of Physics

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

39

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Which Electronic Structure Method for The Study of Defects: A Commentary

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 143 KB

english, 2011

40

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

Alkauskas, Audrius, Dreyer, Cyrus E., Lyons, John L., Van de Walle, Chris G.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 288 KB

english, 2016

41

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Ab Initio Green's Function Calculation of Hyperfine Interactions for Shallow Defects in Semiconductors

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 2.36 MB

english, 2011

42

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Accurate Gap Levels and Their Role in the Reliability of Other Calculated Defect Properties

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 165 KB

english, 2011

43

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Critical Evaluation of the LDA + U Approach for Band Gap Corrections in Point Defect Calculations: The Oxygen Vacancy in ZnO Case Study

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 192 KB

english, 2011

44

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Accurate Kohn-Sham DFT With the Speed of Tight Binding: Current Techniques and Future Directions in Materials Modelling

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 213 KB

english, 2011

45

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Formation Energies of Point Defects at Finite Temperatures

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 482 KB

english, 2011

46

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Electrostatic Interactions between Charged Defects in Supercells

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 302 KB

english, 2011

47

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || SiO2 in Density Functional Theory and Beyond

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 182 KB

english, 2011

48

First-principles theory of acceptors in nitride semiconductors

Lyons, John L., Alkauskas, Audrius, Janotti, Anderson, Van de Walle, Chris G.

Journal:

physica status solidi (b)

Year:

2015

Language:

english

File:

PDF, 549 KB

english, 2015

49

First-principles theory of acceptors in nitride semiconductors (Phys. Status Solidi B 5/2015)

Lyons, John L., Alkauskas, Audrius, Janotti, Anderson, Van de Walle, Chris G.

Journal:

physica status solidi (b)

Year:

2015

File:

PDF, 19.10 MB

2015

50

Advanced Calculations for Defects in Materials (Electronic Structure Methods) || Overcoming Bipolar Doping Difficulty in Wide Gap Semiconductors

Alkauskas, Audrius, Deák, Peter, Neugebauer, Jörg, Pasquarello, Alfredo, Van de Walle, Chris G.

Year:

2011

Language:

english

File:

PDF, 474 KB

english, 2011

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