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1

Erratum: Pressure-induced insulator-metal transitions in solid xenon and hydrogen: A first-principles quasiparticle study

Chacham, Hélio, Zhu, Xuejun, Louie, Steven G.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 17 KB

english, 1993

2

Non-hexagonal-ring defects and structures induced by healing and strain in graphene and functionalized graphene

da Silva-Araújo, Joice, Nascimento, A J M, Chacham, Hélio, Nunes, R W

Journal:

Year:

2013

Language:

english

File:

PDF, 1.63 MB

english, 2013

3

Modifications in graphene electron states due to a deposited lattice of Au nanoparticles: Density functional calculations

Carara, Sabrina S., Batista, Ronaldo J. C., Chacham, Hélio

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 1.94 MB

english, 2009

4

Electronic structure, magnetic properties, Mössbauer isomer shifts, and hyperfine fields of disordered Fe-rich Fe-Al alloys

Chacham, Hélio, Galvo da Silva, E., Guenzburger, Diana, Ellis, D. E.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 282 KB

english, 1987

5

Pressure-induced insulator-metal transitions in solid xenon and hydrogen: A first-principles quasiparticle study

Chacham, Hélio, Zhu, Xuejun, Louie, Steven G.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 520 KB

english, 1992

6

Orientational disorder and the band gap of solid molecular hydrogen under pressure

Chacham, Hélio, Falicov, L. M., Koiller, Belita

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 208 KB

english, 1994

7

under pressure

Chacham, Hélio, Koiller, Belita

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 161 KB

english, 1995

8

Quasiparticle excitation energies for the F -center defect in LiCl

Surh, Michael P., Chacham, Hélio, Louie, Steven G.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 402 KB

english, 1995

9

Electronic Structure of 3d Transition-Atom Impurities in Zinc Selenide

Chacham, Hélio, Alves, J. Luís, de Siqueira, M.L.

Journal:

Materials Science Forum

Year:

1989

File:

PDF, 272 KB

1989

10

Electronic Structure of Cationic Substitutional Cu, Ag, Au, and the Metal Vacancy in ZnS, ZnSe and CdTe

Chacham, Hélio, Alves, J. Luís, de Siqueira, M.L.

Journal:

Materials Science Forum

Year:

1986

File:

PDF, 371 KB

1986

11

Electronic and spin–orbit properties of the kagome MOF family M 3 (1,2,5,6,9, 10-triphenylenehexathiol) 2 (M = Ni, Pt, Cu and Au)

Silveira, Orlando J, Chacham, Helio

Journal:

Journal of Physics Condensed Matter

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

12

Universal deformation pathways and flexural hardening of nanoscale 2D-material standing folds

Chacham, Helio, Barboza, Ana, de Oliveira, Alan B, Oliveira, Camilla, Batista, Ronaldo, Neves, Bernardo Ruegger Almeida

Journal:

Year:

2018

Language:

english

File:

PDF, 912 KB

english, 2018

13

Nanoporous Graphene and H-BN From BCN Precursors: First-Principles Calculations

Dias, Rafael Freitas, Martins, Jonathan da Rocha, Chacham, Helio, de Oliveira, Alan Barros, Manhabosco, Taíse Matte, Batista, Ronaldo J.C.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 13.02 MB

english, 2018

14

Room-Temperature Compression-Induced Diamondization of Few-Layer Graphene

Ana P. M. Barboza, Marcos H. D. Guimaraes, Daniel V. P. Massote, Leonardo C. Campos, Newton M. Barbosa Neto, Luiz G. Cancado, Rodrigo G. Lacerda, Helio Chacham, Mario S. C. Mazzoni, Bernardo R. A. Nev

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 509 KB

english, 2011

15

Alkali atoms as acceptor impurities in ZnSe

Hélio Chacham, J.L.A. Alves, M.L. De Siqueira

Journal:

Solid State Communications

Year:

1987

Language:

english

File:

PDF, 295 KB

english, 1987

16

Probing electric characteristics and sorting out metallic from semiconducting carbon nanotubes

Ana P.M. Barboza, Ana P. Gomes, Helio Chacham, Bernardo R.A. Neves

Journal:

Year:

2010

Language:

english

File:

PDF, 563 KB

english, 2010

17

A theoretical study of the stability trends of boron nitride fullerenes

Ronaldo J.C. Batista, Mário S.C. Mazzoni, Hélio Chacham

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 260 KB

english, 2006

18

The Kataura plot over broad energy and diameter ranges

Ado Jorio, Paulo T. Araujo, Stephen K. Doorn, Shigeo Maruyama, Helio Chacham, Marcos A. Pimenta

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

19

Reliable Hellmann–Feynman forces for nuclei-centered GTO basis of standard size

Reinaldo O. Vianna, Rogério Custódio, Hélio Chacham, José Rachid Mohallem

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 360 KB

english, 1992

20

Controlling the Electrical Behavior of Semiconducting Carbon Nanotubes via Tube Contact

Ana Paula M. Barboza, Sabrina S. Carara, Ronaldo J. C. Batista, Helio Chacham, Bernardo R. A. Neves

Journal:

Year:

2012

Language:

english

File:

PDF, 1.02 MB

english, 2012

21

Brazilian science towards a phase transition

Jorio, Ado, de Sá Barreto, Francisco César, de Sampaio, José Francisco, Chacham, Hélio

Journal:

Nature Materials

Year:

2010

Language:

english

File:

PDF, 578 KB

english, 2010

22

Dynamic Negative Compressibility of Few-Layer Graphene, h-BN, and MoS2

Barboza, Ana Paula M., Chacham, Helio, Oliveira, Camilla K., Fernandes, Thales F. D., Ferreira, Erlon H. Martins, Archanjo, Braulio S., Batista, Ronaldo J. C., de Oliveira, Alan B., Neves, Bernardo R.

Journal:

Year:

2012

Language:

english

File:

PDF, 3.14 MB

english, 2012

23

Stability, geometry, and electronic structure of the boron nitride B36N36 fullerene

Alexandre, Simone S., Mazzoni, Mario S. C., Chacham, Helio

Journal:

Applied Physics Letters

Year:

1999

Language:

english

File:

PDF, 387 KB

english, 1999

24

Third and Fourth Optical Transitions in Semiconducting Carbon Nanotubes

Araujo, Paulo, Doorn, Stephen, Kilina, Svetlana, Tretiak, Sergei, Einarsson, Erik, Maruyama, Shigeo, Chacham, Helio, Pimenta, Marcos, Jorio, Ado

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 1.02 MB

english, 2007

25

N-rich B-C-N layers: From segregated alloy to solid solution

Martins, Jonathan da Rocha, Chacham, Helio

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

26

Electron States in a Lattice of Au Nanoparticles: The Role of Strain and Functionalization

Batista, Ronaldo J. C., Mazzoni, Mário S. C., Garzón, Ignacio L., Beltrán, Marcela R., Chacham, Helio

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 402 KB

english, 2006

27

Molecular switches activated by electromagnetic pulses: First-principles calculations

Felicíssimo, Viviane Costa, da Rocha Martins, Jonathan, Boldt, Isabel Sager, Chacham, Helio

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 618 KB

english, 2009

28

Asymmetric Effect of Oxygen Adsorption on Electron and Hole Mobilities in Bilayer Graphene: Long- and Short-Range Scattering Mechanisms

Silvestre, Ive, de Morais, Evandro A., Melo, Angelica O., Campos, Leonardo C., Goncalves, Alem-Mar B., Cadore, Alisson R., Ferlauto, Andre S., Chacham, Helio, Mazzoni, Mario S. C., Lacerda, Rodrigo G.

Journal:

Year:

2013

Language:

english

File:

PDF, 524 KB

english, 2013

29

Two-Dimensional Molecular Crystals of Phosphonic Acids on Graphene

Prado, Mariana C., Nascimento, Regiane, Moura, Luciano G., Matos, Matheus J. S., Mazzoni, Mario S. C., Cancado, Luiz G., Chacham, Helio, Neves, Bernardo R. A.

Journal:

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

30

Edge States and Magnetism in Carbon Nanotubes with Line Defects

Alexandre, Simone S., Mazzoni, Mário S. C., Chacham, Hélio

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

31

Variational calculations for the bound-unbound transition of the Yukawa potential

Gomes, Orlando A., Chacham, Hélio, Mohallem, José R.

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 222 KB

english, 1994

32

doped with transition metal atoms: First-principles calculations

Batista, Ronaldo J. C., Mazzoni, Mário S. C., Chacham, Helio

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 291 KB

english, 2007

33

A Ferromagnetic Pure Carbon Structure Composed of Graphene and Nanotubes: First-Principles Calculations

Batista, Ronaldo J. C., Carara, Sabrina S., Manhabosco, Taise M., Chacham, Hélio

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.24 MB

english, 2014

34

Controlling the Electrical Response of Carbon Nanotubes Deposited on Diamond through the Application of Electric Fields

Batista, Ronaldo J. C., de Oliveira, Alan Barros, Carara, Sabrina S., Chacham, Hélio

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.58 MB

english, 2014

35

Bistability, softening, and quenching of magnetic moments in Ni-filled carbon nanotubes

Diniz, Eduardo M., Nunes, Ricardo W., Chacham, Hélio, Mazzoni, Mário S. C.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 280 KB

english, 2010

36

First-principles investigation of Au-covered carbon fullerenes

Batista, Ronaldo J. C., Mazzoni, Mário S. C., Ladeira, Luiz O., Chacham, Helio

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 730 KB

english, 2005

37

Resistive and rectifying effects of pulling gold atoms at thiol-gold nanocontacts

Batista, Ronaldo J. C., Ordejón, Pablo, Chacham, Helio, Artacho, Emilio

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 376 KB

english, 2007

38

Structure and energetics of boron nitride fullerenes: The role of stoichiometry

Alexandre, Simone S., Chacham, Hélio, Nunes, R. W.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 178 KB

english, 2001

39

Metallization of solid hydrogen at megabar pressures: A first-principles quasiparticle study

Chacham, Hélio, Louie, Steven G.

Journal:

Physical Review Letters

Year:

1991

Language:

english

File:

PDF, 732 KB

english, 1991

40

Soliton instability and fold formation in laterally compressed graphene

Lima, Amauri Libério de, Müssnich, Lucas A M, Manhabosco, Taíse M, Chacham, Hélio, Batista, Ronaldo J C, Oliveira, Alan Barros de

Journal:

Year:

2015

Language:

english

File:

PDF, 977 KB

english, 2015

41

Experimental and theoretical investigations of monolayer and few-layer talc

Alencar, Ananias B, Barboza, Ana Paula M, Archanjo, Bráulio S, Chacham, Helio, Neves, Bernardo R A

Journal:

Year:

2015

Language:

english

File:

PDF, 1.94 MB

english, 2015

42

Band Gaps of BN-Doped Graphene: Fluctuations, Trends, and Bounds

Nascimento, Regiane, Martins, Jonathan da Rocha, Batista, Ronaldo J. C., Chacham, Helio

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.82 MB

english, 2015

43

Crystal-oriented wrinkles with origami-type junctions in few-layer hexagonal boron nitride

Oliveira, Camilla K., Gomes, Egleidson F. A., Prado, Mariana C., Alencar, Thonimar V., Nascimento, Regiane, Malard, Leandro M., Batista, Ronaldo J. C., de Oliveira, Alan B., Chacham, Helio, de Paula,

Journal:

Year:

2015

Language:

english

File:

PDF, 2.01 MB

english, 2015

44

g-C$_3$N$_4$, and Others: Predicting New Nanoporous Carbon Nitride Planar Structures with Distinct Electronic Properties

Brito, Walber Hugo de, Araújo, Joice da Silva, Chacham, Helio

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.77 MB

english, 2015

45

Strain Discontinuity, Avalanche, and Memory in Carbon Nanotube Serpentine Systems

Müssnich, Lucas C. P. A. M., Chacham, Hélio, Soares, Jaqueline S., Barbosa Neto, Newton M., Shadmi, Nitzan, Joselevich, Ernesto, Cançado, Luiz Gustavo, Jorio, Ado

Journal:

Year:

2015

Language:

english

File:

PDF, 3.38 MB

english, 2015

46

Nanometre-scale identification of grain boundaries in MoS 2 through molecular decoration

Prado, Mariana C, Nascimento, Regiane, Faria, Barbara E N, Matos, Matheus J S, Chacham, Helio, Neves, Bernardo R A

Journal:

Year:

2015

Language:

english

File:

PDF, 1.02 MB

english, 2015

47

Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes: Theory and molecular dynamics simulations

de Oliveira, Alan B., Chacham, Hélio, S. Soares, Jaqueline, Manhabosco, Taíse M., de Resende, Hélio F.V., Batista, Ronaldo J.C.

Journal:

Year:

2016

Language:

english

File:

PDF, 791 KB

english, 2016

48

Electron States of 2D Metal–Organic and Covalent–Organic Honeycomb Frameworks: Ab Initio Results and a General Fitting Hamiltonian

Silveira, Orlando J., Alexandre, Simone S., Chacham, Helio

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.84 MB

english, 2016

49

Edge-Reconstructed, Few-Layered Graphene Nanoribbons: Stability and Electronic Properties

Gonçalves, Juliana A., Nascimento, Regiane, Matos, Matheus J. S., de Oliveira, Alan B., Chacham, Hélio, Batista, Ronaldo J. C.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 6.90 MB

english, 2017

50

Apparent Softening of Wet Graphene Membranes on a Microfluidic Platform

Ferrari, Gustavo A., de Oliveira, Alan B., Silvestre, Ive, Matos, Matheus J. S., Batista, Ronaldo J.C., Fernandes, Thales F. D., Meireles, Leonel M., Eliel, Gomes S. N., Chacham, Helio, Neves, Bernard

Journal:

Year:

2018

Language:

english

File:

PDF, 1.12 MB

english, 2018

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