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Publications de l'équipe en 2012

Publié le 20 novembre 2018
Crystal Structure of Cold Compressed Graphite
Amsler M, Flores-Livas JA, Lehtovaara L, Balima F, Ghasemi SA, Machon D, Pailhes S, Willand A, Caliste D, Botti S, Miguel AS, Goedecker S, Marques MAL
Physical Review Letters 108 (2012) 4

Interface-driven phase separation in multifunctional materials: The case of the ferromagnetic semiconductor GeMn
Arras E, Lancon F, Slipukhina I, Prestat E, Rovezzi M, Tardif S, Titov A, Bayle-Guillemaud P, d'Acapito F, Barski A, Favre-Nicolin V, Jamet M, Cibert J, Pochet P
Physical Review B 85 (2012) 115204

Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions
Cerioni A, Genovese L, Mirone A, Sole VA
Journal of Chemical Physics 137 (2012) 134108

Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study
Duchemin I, Deutsch T, Blase X
Physical Review Letters 109 (2012) 167801

Atomistic simulations of heat transport in real-scale silicon nanowire devices
Duchemin I, Donadio D
Applied Physics Letters 100 (2012) 223107

Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
Faber C, Duchemin I, Deutsch T, Attaccalite C, Olevano V, Blase X
Journal of Materials Science 47 (2012) 7472-7481

Many-body Green's function study of coumarins for dye-sensitized solar cells
Faber C, Duchemin I, Deutsch T, Blase X
Physical Review B 86 (2012) 155315

Size Dependence of the Exciton Transitions in Colloidal CdTe Quantum Dots
Groeneveld E, Delerue C, Allan G, Niquet YM, Donega CD
Journal of Physical Chemistry C 116 (2012) 23160-23167

Strain state of GaN nanodisks in AlN nanowires studied by medium energy ion spectroscopy
Jalabert D, Cure Y, Hestroffer K, Niquet YM, Daudin B
Nanotechnology 23 (2012) 425703

Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A first principles study
Kvashnin YO, Khmelevskyi S, Kudrnovsky J, Yaresko AN, Genovese L, Bruno P
Physical Review B 86 (2012) 174429

Noncollinear magnetic ordering in compressed FePd_{3} ordered alloy: A first principles study
Kvashnin YO, Khmelevskyi S, Kudrnovský J, Yaresko AN, Genovese L, Bruno P
Physical Review B 86 (2012) 174429

Transport properties of graphene containing structural defects
Lherbier A, Dubois SMM, Declerck X, Niquet YM, Roche S, Charlier JC
Physical Review B 86 (2012) 075402

Formation and evolution of oxygen-vacancy clusters in lead and tin doped silicon
Londos CA, Aliprantis D, Sgourou EN, Chroneos A, Pochet P
Journal of Applied Physics 111 (2012) 123508

Tunable magnetic states in hexagonal boron nitride sheets
Machado-Charry E, Boulanger P, Genovese L, Mousseau N, Pochet P
Applied Physics Letters 101 (2012) 132405

Atomistic Boron-Doped Graphene Field-Effect Transistors: A Route toward Unipolar Characteristics
Marconcini P, Cresti A, Triozon F, Fiori G, Biel B, Niquet YM, Macucci M, Roche S
Acs Nano 6 (2012) 7942-7947

Wavelet-based linear-response time-dependent density-functional theory
Natarajan B, Genovese L, Casida ME, Deutsch T, Burchak ON, Philouze C, Balakirev MY
Chemical Physics 402 (2012) 29-40

Gate-controllable negative differential conductance in graphene tunneling transistors
Nguyen VH, Niquet YM, Dollfus P
Semiconductor Science and Technology 27 (2012) 105018

Carrier mobility in strained Ge nanowires
Niquet YM, Delerue C
Journal of Applied Physics 112 (2012) 084301

Effects of Strain on the Carrier Mobility in Silicon Nanowires
Niquet YM, Delerue C, Krzeminski C
Nano Letters 12 (2012) 3545-3550

Fully Atomistic Simulations of Phonon-Limited Mobility of Electrons and Holes in <001>, <110>-, and <111>-Oriented Si Nanowires
Niquet YM, Delerue C, Rideau D, Videau B
IEEE Transactions on Electron Devices 59 (2012) 1480-1487

Impurity-limited mobility and variability in gate-all-around silicon nanowires
Niquet YM, Mera H, Delerue C
Applied Physics Letters 100 (2012) 153119

Momentum distribution and Compton profile by the ab initio GW approximation
Olevano V, Titov A, Ladisa M, Hamalainen K, Huotari S, Holzmann M
Physical Review B 86 (2012) 195123

Point defect diffusion in Si and SiGe revisited through atomistic simulations
Pochet P, Caliste D
Materials Science in Semiconductor Processing 15 (2012) 675-690

Detection of a Large Valley-Orbit Splitting in Silicon with Two-Donor Spectroscopy
Roche B, Dupont-Ferrier E, Voisin B, Cobian M, Jehl X, Wacquez R, Vinet M, Niquet YM, Sanquer M
Physical Review Letters 108 (2012) 206812