1

Hydrogen multicenter bonds

A. Janotti and C. G. Van de Walle

Nature Materials

(Advanced online publication, doi:10.1038/nmat1795)

2

Absolute deformation potentials and band alignment of wurtzite ZnO, MgO, and CdO

A. Janotti and C. G. Van de Walle

Phys. Rev. B

(Rapid Comm)

(submitted)

3

Self-consistent band-gap corrections in density-functional theory using modified pseudopotentials

D. Segev, A. Janotti, and C. G. Van de Walle

Phys. Rev. B

(in press)

4

Effects of cation d states on III-nitride and II-oxide wide-band-gap semiconductors

A. Janotti, D. Segev, and C. G. Van de Walle

Physical Review B

Vol. 74 pp. 045202 (2006)

5

Valency configuration of transition metal impurities in ZnO

L. Petit, T. C. Schulthess, A. Svane, W. M. Temmerman, Z. Szotek, and A. Janotti

Journal of Electronic Materials

Vol. 35 pp. 556-561(2006)

6

Electronic structure of transition metal impurities in p-type ZnO

L. Petit, T.C.Schulthess, A. Svane, Z. Szotek, W.M. Temmerman, and A. Janotti

Physical Review B

Vol. 73 pp. 045107 (2006)

7

New insights into the role of native point defects in ZnO

A. Janotti and C. G. Van de Walle

Journal of Crystal Growth

Vol. 287 pp. 58-65 (2006)

8

Intrinsic volume dependence of thermoinduced magnetization in nanoparticles

G. Brown, A. Janotti, M. E. Eisenbach, G. M. Stocks

Physical Review B

(Rapid Comm)

Vol. 72 pp. 140405 (2005)

9

Oxygen vacancies in ZnO

A. Janotti and C. G. Van de Walle

Applied Physics Letters

Vol. 87 pp. 122102 (2005)

10

Diffusion rates of 3d transition metal solutes in nickel by first-principles calculations

M. Krcmar, C. L. Fu, A. Janotti, and R. C. Reed

Acta Materialia

Vol. 53 pp. 2369-2376 (2005)

11

Vibrational and crystalline properties of polymorphic CuInC₂ (C=Se,S) chalcogenides

J. Alvarez-Garcia, B. Barcones, A. Perez-Rodriguez, J. R. Morante, A. Janotti, S.-H. Wei, and R. Scheer

Physical Review B

Vol. 71 pp. 054303 (2005)

12

Physics of Defects and hydrogen in dilute nitrides

S. B. Zhang, A. Janotti, S.-H. Wei, and C. G. Van de Walle

IEE Proc.-Optoelectron.

Vol. 151 pp. 369-377 (2004)

13

On the Diffusion of Alloying Elements in the Nickel-Base Superalloys

C. L. Fu, R. Reed, A. Janotti, and M. Krcmar

Superalloys 2004

pp. 867

14

Solute diffusion in metals: Larger atoms can move faster

A. Janotti, M. Krcmar, C. L. Fu, and R. C. Reed

Physical Review Letters

Vol. 92 085901 (2004)

15

Donor-donor binding in semiconductors: Engineering shallow donor levels for ZnTe

A. Janotti, S.-H. Wei, and S.B.  Zhang

Applied Physics Letters

Vol. 83 pp. 3522-3524 (2003)

16

Epitaxially stabilized AgGaSe₂ for high-efficiency spin-polarized electron source

A. Janotti, S.-H. Wei

Journal of Physics and Chemistry of Solids

Vol. 64 pp. 1881-1885 (2003)

17

Competition between ferromagnetism and antiferromagnetism in FePt

G. Brown, B. Kraczek, A. Janotti, T. C. Schulthess, G. M. Stocks, and D. D. Johnson

Physical Review B

Vol. 68 pp. 052405 (2003)

18

Interactions between nitrogen, hydrogen, and gallium vacancies in GaAsN alloys

A. Janotti, S.-H. Wei, S. B. Zhang, S. Kurtz, and C. G. Van de Walle

Physical Review B

(Rapid Comm)

Vol. 67 pp. 161201 (2003)

19

Electronic and magnetic properties of MnN versus MnAs

A. Janotti, S.-H. Wei, and L. Bellaiche

Applied Physics Letters

Vol. 82 pp. 766-768 (2003)

20

Computational design of a material for high-efficiency spin-polarized electron source

A. Janotti and S.-H. Wei

Applied Physics Letters

Vol. 81 pp.  3957-3959 (2002)

21

Effects of hydrogen on the electronic properties of dilute GaAsN alloys

A. Janotti, S. B. Zhang, S.-H. Wei, and C. G. van de Walle

Physical Review Letters

Vol. 89 pp. 086403 (2002)

22

Hydrogen vibration modes in GaP : N: The pivotal role of nitrogen in stabilizing the H₂* complex

A. Janotti, S. B. Zhang, and S.-H. Wei

Physical Review Letters

Vol. 88 pp. 125506 (2002)

23

Theoretical study of the effects of isovalent coalloying of Bi and N in GaAs

A. Janotti, S.-H. Wei, and S. B. Zhang

Physical Review B

Vol. 65 pp. 115203 (2002)

24

Polymorphism in CuInS₂ epilayers: Origin of additional Raman modes

J. Alvarez-Garcia, A. Perez-Rodriguez, B. Barcones, A. Romano-Rodrigues, J. R. Morante, A. Janotti, S.-H. Wei, and R. Scheer

Applied Physics Letters

Vol. 80 pp. 562-564 (2002)

25

First-principles study of the stability of BN and C

A. Janotti, S.-H. Wei, and D. J. Singh

Physical Review B

Vol. 64 pp. 174107 (2001)

26

Two-atom structures of Ge on Si(100): Dimers versus adatom pairs

A. J. R. da Silva, G. M. Dalpian, A. Janotti, and A. Fazzio

Physical Review Letters

Vol. 87 pp. 036104 (2001)

27

Structural and electronic properties of ZnGeAs₂

A. Janotti, S.-H. Wei, S. B. Zhang, and S. Kurtz

Physical Review B

Vol. 63 pp. 195210 (2001)

28

Self-interstitial defect in germanium

A. J. R. da Silva, A. Janotti, A. Fazzio. R. Baierle, and R. Mota

Physical Review B

Vol. 62 pp. 9903-9906 (2000)

29

Microscopic picture of the single vacancy in germanium

A. Fazzio, A. Janotti, A. J. R. da Silva, and R. Mota

Physical Review B

(Rapid Comm)

Vol. 61 pp. 2401-2404 (2000)

30

Electronic and structural properties of vacancy and self-interstitial defects in germanium

A. Janotti, R. Baiele, A. J. R. da Silva, A. Fazzio, and R. Mota

Physica B

Vol. 274 pp. 575-578 (1999)

31

Initial stages of Ge growth on Si(001): ad-atoms, ad-dimers, and ad-trimers

G. M. Dalpian, A. Janotti, A. Fazzio, and A. J. R. da Silva

Physica B

Vol. 274 pp. 589-592 (1999)

32

Concerted-exchange mechanism for antistructure defects in GaAs

A. Janotti, A. Fazzio, R. Mota, and P. Piquini

Solid State Communications

Vol. 110 pp. 457-461

33

Theoretical study of defect complexes related with antisites in GaAs

A. Fazzio, A. Janotti,R. Mota, and P. Piquini

Rad. Eff. Defect. Sol.

Vol. 146 pp. 65 (1998)

34

 Theoretical study of antistructure defects in GaAs

A. Janotti, A. Fazzio, P. Piquini, and R. Mota

Materials Science Forum

Vol. 258-2 pp. 975-979 (1997)

35

Defect complexes in GaAs: First-principles calculations

A. Janotti, A. Fazzio, P. Piquini, and R. Mota

Physical Review B

Vol. 56 pp. 13073-13076 (1997)

Conefernce Proceedings

1

(Invited) Hydrogen-Nitrogen Tailors Semiconductor Optoelectronics: The Case of Dilute Nitride III-V Alloys

A. Janotti

in Hydrogen in Semiconductors, edited by N. H. Nickel, M. D. McCluskey, and  S. B. Zhang, (Mat. Res. Society Sym. Proc. 813, Warrendale, PA, 2004), pp. 123