Volume 23; Issue 40

Journal of Physics Condensed Matter

Volume 23; Issue 40

1

First-principles study of diffusion and interactions of vacancies and hydrogen in hcp-titanium

Connétable, Damien, Huez, Julitte, Andrieu, Éric, Mijoule, Claude

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 2.17 MB

english, 2011

2

Vibrational properties of RbNd(WO 4 ) 2 : high pressure Raman study, structural and phonon calculations

Paraguassu, W, Maczka, M, Guerini, S, Freire, P T C, Mendes Filho, J, Majchrowski, A, Swirkowicz, M

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 723 KB

english, 2011

3

First-principles study of Cu 2 ZnSnS 4 and the related band offsets for photovoltaic applications

Nagoya, A, Asahi, R, Kresse, G

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 350 KB

english, 2011

4

Ordering effects in disordered systems: the Au–Si system

Jakse, N, Nguyen, T L T, Pasturel, A

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 795 KB

english, 2011

5

Electronic properties of Fibonacci and random Si–Ge chains

Vasconcelos, M S, Azevedo, David L, Hadad, A, Galvão, D S

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 868 KB

english, 2011

6

Spin and charge pumping in a quantum wire: the role of spin-flip scattering and Zeeman splitting

Kwapiński, T, Taranko, R

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 633 KB

english, 2011

7

Ab initio study of II–(VI) 2 dichalcogenides

Olsson, P, Vidal, J, Lincot, D

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 815 KB

english, 2011

8

Theoretical study of structural, mechanical and spectroscopic properties of boehmite (γ-AlOOH)

Tunega, D, Pašalić, H, Gerzabek, M H, Lischka, H

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1018 KB

english, 2011

9

Temperature-dependent Raman scattering study of cation-deficient Aurivillius phases: Bi 2 WO 6 and Bi 2 W 2 O 9

Mączka, M, Macalik, L, Kojima, S

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 833 KB

english, 2011

10

Ethylene epoxidation catalyzed by chlorine-promoted silver oxide

Ozbek, M O, Onal, I, Van Santen, R A

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1.29 MB

english, 2011

11

On the stability of Archimedean tilings formed by patchy particles

Antlanger, Moritz, Doppelbauer, Günther, Kahl, Gerhard

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1.67 MB

english, 2011

12

The contribution of order to the phase stability of β-Cu–Zn–Al

Lanzini, F, Romero, R, Stipcich, M

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 895 KB

english, 2011

13

Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na N ( N = 40–147): comparison with the experimental photoelectron spectra

Ghazi, Seyed Mohammad, De, Sandip, Kanhere, D G, Goedecker, Stefan

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1.00 MB

english, 2011

14

The synthesis, and crystal and magnetic structure of the iron selenide BaFe 2 Se 3 with possible superconductivity at T c = 11 K

Krzton-Maziopa, A, Pomjakushina, E, Pomjakushin, V, Sheptyakov, D, Chernyshov, D, Svitlyk, V, Conder, K

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1.74 MB

english, 2011

15

Dynamical response of nanostructures and Joule heat release

Gurevich, V L, Kozub, V I, Muradov, M I

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 166 KB

english, 2011

16

High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties

Khazaei, Mohammad, Liang, Yunye, Bahramy, Mohammad Saeed, Pichierri, Fabio, Esfarjani, Keivan, Kawazoe, Yoshiyuki

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 1.77 MB

english, 2011

17

Coupled-cluster calculations for the ground and excited states of the spin-half X X Z model

Merdan, Mohammad, Xian, Y

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 282 KB

english, 2011

18

Computational materials science

Kahl, Gerhard, Kresse, Georg

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 43 KB

english, 2011

19

Some thoughts about Jürgen Hafner's work in computational materials science

Journal:

Journal of Physics Condensed Matter

Year:

2011

Language:

english

File:

PDF, 126 KB

english, 2011