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1

Negative-electron-affinity effects on the diamond (100) surface

van der Weide, J., Zhang, Z., Baumann, P. K., Wensell, M. G., Bernholc, J., Nemanich, R. J.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 174 KB

english, 1994

2

Nanomechanics of Carbon Tubes: Instabilities beyond Linear Response

Yakobson, B. I., Brabec, C. J., Bernholc, J.

Journal:

Physical Review Letters

Year:

1996

Language:

english

File:

PDF, 152 KB

english, 1996

3

Structural and electronic properties of arsenic chalcogenide molecules

Babić, Davorin, Rabii, Sohrab, Bernholc, Jerzy

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 482 KB

english, 1989

4

Scattering-theoretic method for defects in semiconductors. I. Tight-binding description of vacancies in Si, Ge, and GaAs

Bernholc, J., Pantelides, Sokrates T.

Journal:

Physical Review B

Year:

1978

Language:

english

File:

PDF, 826 KB

english, 1978

5

Scattering-theoretic method for defects in semiconductors. II. Self-consistent formulation and application to the vacancy in silicon

Bernholc, J., Lipari, Nunzio O., Pantelides, Sokrates T.

Journal:

Physical Review B

Year:

1980

Language:

english

File:

PDF, 1.09 MB

english, 1980

6

Enhancement of the dielectric response in polymer nanocomposites with low dielectric constant fillers

Thakur, Yash, Zhang, Tian, Iacob, C., Yang, Tiannan, Bernholc, J., Chen, L. Q., Runt, J., Zhang, Q. M.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.64 MB

english, 2017

7

Ferroelectric polymers exhibiting behaviour reminiscent of a morphotropic phase boundary

Liu, Yang, Aziguli, Haibibu, Zhang, Bing, Xu, Wenhan, Lu, Wenchang, Bernholc, J., Wang, Qing

Journal:

Year:

2018

Language:

english

File:

PDF, 22.63 MB

english, 2018

8

Structural mechanics of carbon nanotubes: From continuum elasticity to atomistic fracture

B. I. Yakobson, C. J. Brabec, J. Bernholc

Journal:

Scientific Modeling and Simulation SMNS

Year:

1996

Language:

english

File:

PDF, 861 KB

english, 1996

9

Simulated annealing strategies for molecular dynamics

Jae-Yel Yi, J. Bernholc, Peter Salamon

Journal:

Computer Physics Communications

Year:

1991

Language:

english

File:

PDF, 364 KB

english, 1991

10

Formation energies, abundances, and the electronic structure of native defects in cubic SiC

Wang, C., Bernholc, J., Davis, R.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 192 KB

english, 1988

11

High strain rate fracture and C-chain unraveling in carbon nanotubes

B.I. Yakobson, M.P. Campbell, C.J. Brabec, J. Bernholc

Journal:

Computational Materials Science

Year:

1997

Language:

english

File:

PDF, 762 KB

english, 1997

12

Ultimate strength of carbon nanotubes: A theoretical study

Zhao, Qingzhong, Nardelli, Marco Buongiorno, Bernholc, J.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 199 KB

english, 2002

13

Atomic structure and doping of microtubules

Yi, Jae-Yel, Bernholc, J.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 185 KB

english, 1993

14

Effects of end group functionalization and level alignment on electron transport in molecular devices

Kim, Gunn, Wang, Shuchun, Lu, Wenchang, Buongiorno Nardelli, Marco, Bernholc, J.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 906 KB

english, 2008

15

Surface structures and electron affinities of bare and hydrogenated diamond C(100) surfaces

Zhang, Z., Wensell, M., Bernholc, J.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 459 KB

english, 1995

16

Electronic structure and identification of deep defects in GaP

Scheffler, M., Bernholc, J., Lipari, N. O., Pantelides, S. T.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 1.88 MB

english, 1984

17

Kinetics of aggregation of carbon clusters

Bernholc, J., Phillips, J. C.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 296 KB

english, 1986

18

-bonded substitutional impurities in silicon

Bernholc, J., Lipari, N. O., Pantelides, S. T., Scheffler, M.

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 405 KB

english, 1982

19

Native defects in gallium nitride

Bogusl/awski, P., Briggs, E. L., Bernholc, J.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 273 KB

english, 1995

20

complexes as models for the EL 2 center in GaAs

Zhang, Q.-M., Bernholc, J.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 201 KB

english, 1993

21

Large-scale electronic-structure calculations with multigrid acceleration

Briggs, E. L., Sullivan, D. J., Bernholc, J.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 201 KB

english, 1995

22

Theory of binding energies of acceptors in semiconductors

Bernholc, J., Pantelides, Sokrates T.

Journal:

Physical Review B

Year:

1977

Language:

english

File:

PDF, 871 KB

english, 1977

23

Doping properties of C, Si, and Ge impurities in GaN and AlN

Bogusławski, P., Bernholc, J.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 513 KB

english, 1997

24

Reactivity, stability, and formation of fullerenes

Yi, Jae-Yel, Bernholc, J.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 246 KB

english, 1993

25

Si diffusion in GaAs and Si-induced interdiffusion in GaAs/AlAs superlattices

Chen, B., Zhang, Q.-M., Bernholc, J.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 248 KB

english, 1994

26

fullerene formation

Brabec, C. J., Anderson, E. B., Davidson, B. N., Kajihara, S. A., Zhang, Q.-M., Bernholc, J., Tománek, D.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 206 KB

english, 1992

27

Localized states and the electronic properties of a hydrogenated defect in amorphous silicon

DiVincenzo, D. P., Bernholc, J., Brodsky, M. H.

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 623 KB

english, 1983

28

Self-Diffusion Mechanisms in Diamond, SiC, Si and Ge

Bernholc, J., Antonelli, A., Wang, C., Davis, Robert F.

Journal:

Materials Science Forum

Year:

1989

File:

PDF, 357 KB

1989

29

Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation

Li, Yan, Hodak, Miroslav, Lu, Wenchang, Bernholc, J.

Journal:

Year:

2017

Language:

english

File:

PDF, 3.37 MB

english, 2017

30

Real-space multigrid methods for large-scale electronic structure problems

J. Bernholc, E. L. Briggs, D. J. Sullivan, C. J. Brabec, M. Buongiorno Nardelli, K. Rapcewicz, C. Roland, M. Wensell

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 314 KB

english, 1997

31

Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes, and Quantum Transport

J. Bernholc, E.L. Briggs, C. Bungaro, M. Buongiorno Nardelli, J.-L. Fattebert, K. Rapcewicz, C. Roland, W.G. Schmidt, Q. Zhao

Journal:

physica status solidi (b)

Year:

2000

Language:

english

File:

PDF, 330 KB

english, 2000

32

GaAs(001): Surface Structure and Optical Properties

W.G. Schmidt, F. Bechstedt, K. Fleischer, C. Cobet, N. Esser, W. Richter, J. Bernholc, G. Onida

Journal:

physica status solidi (a)

Year:

2001

Language:

english

File:

PDF, 169 KB

english, 2001

33

Smoking, cancer, and Parkmson's disease

Lawrence I. Golbe, Alissa A. Bernholc, Roger C. Duvoisin

Journal:

Annals of Neurology

Year:

1987

Language:

english

File:

PDF, 124 KB

english, 1987

34

Structural defects and the shape of large fullerenes

C.J. Brabec, A. Maiti, J. Bernholc

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 531 KB

english, 1994

35

Growth of carbon nanotubes: a molecular dynamics study

C.J. Brabec, A. Maiti, C. Roland, J. Bernholc

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 688 KB

english, 1995

36

The effective-mass nature of deep-level point-defect states in semiconductors

S.T. Pantelides, N.O. Lipari, J. Bernholc

Journal:

Solid State Communications

Year:

1980

Language:

english

File:

PDF, 383 KB

english, 1980

37

The electronic structure of deep SP-bonded acceptor impurities in semiconductors

J. Bernholc, S.T. Pantelides, N.O. Lipari, A. Baldereschi

Journal:

Solid State Communications

Year:

1981

Language:

english

File:

PDF, 297 KB

english, 1981

38

Impurity incorporation and doping of diamond

S.A. Kajihara, A. Antonelli, J. Bernholc

Journal:

Physica B: Condensed Matter

Year:

1993

Language:

english

File:

PDF, 583 KB

english, 1993

39

Theory of native defects, doping and diffusion in diamond and silicon carbide

J. Bernholc, S.A. Kajihara, C. Wang, A. Antonelli, R.F. Davis

Journal:

Materials Science and Engineering: B

Year:

1992

Language:

english

File:

PDF, 740 KB

english, 1992

40

Ab initio studies of single-height Si(001) steps

R. Bogusławski, Q.-M. Zhang, Z. Zhang, C. Roland, J. Bernholc

Journal:

Materials Science and Engineering: B

Year:

1995

Language:

english

File:

PDF, 639 KB

english, 1995

41

Atomic indium nanowires on Si(1 1 1): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy

K Fleischer, S Chandola, N Esser, W Richter, J.F McGilp, W.G Schmidt, S Wang, W Lu, J Bernholc

Journal:

Applied Surface Science

Year:

2004

Language:

english

File:

PDF, 216 KB

english, 2004

42

Hydrogenation effect on the structural transition of C60

Jae-Yel Yi, J. Bernholc

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 231 KB

english, 2005

43

Mechanical properties, defects and electronic behavior of carbon nanotubes

M Buongiorno Nardelli, J.-L Fattebert, D Orlikowski, C Roland, Q Zhao, J Bernholc

Journal:

Year:

2000

Language:

english

File:

PDF, 1.72 MB

english, 2000

44

Structural transitions in aluminum clusters

Jae-Yel Yi, Dirk J. Oh, J. Bernholc, R. Car

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 520 KB

english, 1990

45

Theoretical bounds for multiwalled carbon nanotube growth

M Buongiorno Nardelli, C Roland, J Bernholc

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 1.20 MB

english, 1998

46

(001) Surfaces of GaP and InP: structural motifs, electronic states and optical signatures

W.G. Schmidt, J. Bernholc, F. Bechstedt

Journal:

Applied Surface Science

Year:

2000

Language:

english

File:

PDF, 258 KB

english, 2000

47

Gallium-rich reconstructions on GaAs(001)

M. Pristovsek, S. Tsukamoto, A. Ohtake, N. Koguchi, B. G. Orr, W. G. Schmidt, J. Bernholc

Journal:

physica status solidi (b)

Year:

2003

Language:

english

File:

PDF, 140 KB

english, 2003

48

Density functional theory studies of quantum transport in molecular systems

Vincent Meunier, Wenchang Lu, Bobby G. Sumpter, Jerry Bernholc

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 888 KB

english, 2006

49

Green's function scattering-theoretic methods for point defects, surfaces, and interfaces in solids

S. T. Pantelides, J. Bernholc, J. Pollmann, N. O. Lipari

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 745 KB

english, 1978

50

Quantum molecular dynamics simulations of fullerenes and graphitic microtubules

J. Bernholc, Jae-Yel Yi, Q. -M. Zhang, C. J. Brabec, E. B. Anderson, B. N. Davidson, S. A. Kajihara

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1993

Language:

english

File:

PDF, 678 KB

english, 1993