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Lebègue, S.
191  results:
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1

Jahn‐Teller distortion, octahedra rotations and orbital ord..:

Pascale, F. ; D'Arco, P. ; Lebègue, S..
Journal of Computational Chemistry.  45 (2024)  14 - p. 1067-1077 , 2024
Link: https://doi.org/10.1002/..
 
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2

Ab initio investigations of a CoBiS monolayer with and with..:

Said, H. ; Garbouj, H. ; Debbichi, M...
Physical Chemistry Chemical Physics.  25 (2023)  2 - p. 1187-1195 , 2023
Link: https://doi.org/10.1039/..
 
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3

Insight into the effect of alloying on the adsorption of be..:

Moussadeq, S. ; Jabrane, M. ; Benbella, A....
Surface Science.  734 (2023)  - p. 122321 , 2023
Link: https://doi.org/10.1016/..
 
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4

A density functional theory study of thiophene and pyridine..:

Benbella, A. ; Matrane, I. ; Badawi, M...
Surface Science.  729 (2023)  - p. 122212 , 2023
Link: https://doi.org/10.1016/..
 
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5

Two dimensional h-BSb mono-layer as a promising anode mater..:

Elomrani, A. ; Lamhani, M. ; Oukahou, S....
Materials Chemistry and Physics.  275 (2022)  - p. 125191 , 2022
Link: https://doi.org/10.1016/..
 
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6

Beneficial effect of Au and Pt doping of the Ag-(100) surfa..:

Benbella, A. ; Matrane, I. ; Badawi, M...
Chemical Physics.  553 (2022)  - p. 111391 , 2022
Link: https://doi.org/10.1016/..
 
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7

Stacking effect on electronic properties of InSe/blue phosp..:

Ayadi, T. ; Badawi, M. ; Said, M..
Physica E: Low-dimensional Systems and Nanostructures.  139 (2022)  - p. 115115 , 2022
Link: https://doi.org/10.1016/..
 
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8

Growth and annealing effect on the Cu thin film deposited o..:

Mes-adi, H. ; Saadouni, K. ; Badawi, M...
Journal of Crystal Growth.  586 (2022)  - p. 126631 , 2022
Link: https://doi.org/10.1016/..
 
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9

First-Principles Study of Monolayer penta-CoS2 as a Promisi..:

Debbichi, M. ; Mallah, A. ; Dhaou, M. Houcine.
Physical Review Applied.  16 (2021)  2 - p. , 2021
Link: https://doi.org/10.1103/..
 
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10

An ab initio study of the electronic properties of the ferr..:

Ayadi, T. ; Debbichi, L. ; Badawi, M....
Applied Surface Science.  538 (2021)  - p. 148066 , 2021
Link: https://doi.org/10.1016/..
 
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11

Elastic and mechanical properties of cubic diamond and sili..:

Barhoumi, M. ; Rocca, D. ; Said, M..
Solid State Communications.  324 (2021)  - p. 114136 , 2021
Link: https://doi.org/10.1016/..
 
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12

Imprinting isolated single iron atoms onto mesoporous silic..:

Berro, Y. ; Gueddida, S. ; Bouizi, Y....
Journal of Colloid and Interface Science.  573 (2020)  - p. 193-203 , 2020
Link: https://doi.org/10.1016/..
 
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13

Tuning the magnetic and electronic properties of monolayer ..:

Debbichi, M. ; Debbichi, L. ; Lebègue, S.
Physics Letters A.  384 (2020)  27 - p. 126684 , 2020
Link: https://doi.org/10.1016/..
 
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14

Adsorption and diffusion of Pt, Cu, Ag and Au on missing ro..:

Matrane, I. ; Mazroui, M. ; Ferrando, R...
Surface Science.  690 (2019)  - p. 121463 , 2019
Link: https://doi.org/10.1016/..
 
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15

A review of atomistic simulation methods for surface physic..:

Foucaud, Y. ; Badawi, M. ; Filippov, L...
Minerals Engineering.  143 (2019)  - p. 106020 , 2019
Link: https://doi.org/10.1016/..
 
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