logo nano spa 1
  • Cabecera 1
    nanoscience and nanotechnology: small is different
  • Home
  • First-principles modelling for quantum materials
  • Publications

Publications

2023

Metastable polymorphic phases in monolayer TaTe2. I. Di Bernardo, J. Ripoll-Sau, J.A. Silva-Guillén, F. Calleja, C.G. Ayani, R. Miranda, E. Canadell, M. Garnica, A.L. Vázquez de Parga. Small. 2300262 (2023). https://doi.org/10.1002/smll.202300262 

  logo repositorio 01
     

Electronic properties of twisted bilayer graphene suspended and encapsulated with hexagonal boron nitride. M. Long, Z. Zhan, P.A. Pantaleón, J.A. Silva-Guillén, F. Guinea, and S. Yuan. Phys. Rev. B. 107, 115140 (2023). https://doi.org/10.1103/PhysRevB.107.115140

   

2022

   
An atomistic approach for the structural and electronic properties of twisted bilayer graphene-boron nitride heterostructures. M. Long, P.A. Pantaleón, Z. Zhan, F. Guinea, J.A. Silva-Guillén, S. Yuan.  npj Computational Materials. 8, 1, 73 (2022). https://doi.org/10.1038/s41524-022-00763-1          logo repositorio 01
 
Atomic-scale study of type-II Dirac semimetal PtTe2 surface. P. Casado Aguilar, F. Calleja, C.-N. Kuo, C.S. Lue, B. Ghosh, A. Agarwal, A. Politano, A.L. Vázquez De Parga, R. Miranda, J.A. Silva-Guillén, M. Garnica. JPhys Materials. 5, 4, 44003 (2022). https://doi.org/10.1088/2515-7639/ac92a8   logo repositorio 01
     

Electronic properties of germanene on pristine and defective MoS2: A first-principles study. P. Lv, J.A. Silva-Guillén, A.N. Rudenko, S. Yuan. Physical Review B. 105, 094111 (2022). https://doi.org/10.1103/PhysRevB.105.094111

   
     

2020

Tuning band gaps in twisted bilayer MoS2. Y. Zhang, Z. Zhan, F. Guinea, J. A. Silva-Guillen, S. Yuan. Physical Review B. 102, 235418 (2020). https://doi.org/10.1103/PhysRevB.102.235418      
     
Tunability of multiple ultraflat bands and effect of spin-orbit coupling in twisted bilayer transition metal dichalcogenides. Z. Zhan, Y. Zhang, P. Lv, H. Zhong, G. Yu, F. Guinea, J. A. Silva-Guillen, S. Yuan. Physical Review B. 102, 241106(R) (2020). https://doi.org/10.1103/PhysRevB.102.241106    
     
Strain control of the competition between metallic and semiconducting states in single-layers of TaSe3. J. A. Silva-Guillen, E. Canadell. 2D Materials 7, 025038 (2020). https://doi.org/10.1088/2053-1583/ab72d9      
     
Electron heating and mechanical properties of graphene. J. A. Silva-Guillen, F. Guinea. Physical Review B 101, 060102(R) (2020). https://doi.org/10.1103/PhysRevB.101.060102      
     
Large-area, periodic, and tunable intrinsic pseudo-magnetic elds in low-angle twisted bilayer graphene. H. Shi, Z. Zhan, Z. Qi, K. Huang, E. v. Veen, J.A. Silva-Guillen, R. Zhang, P. Li, K. Xie, H. Ji, M. I. Katsnelson, S. Yuan, S. Qin, Z. Zhang. Nature Communications 11, 371 (2020). https://doi.org/10.1038/s41467-019-14207-w      
     

2019

Coexistence of Elastic Modulations in the Charge Density Wave State of 2H-NbSe2.B. Guster, C. Rubio-Verdu, R. Robles, J. Zaldvar, P. Dreher, M. Pruneda, J. A. Silva-Guillen, D.-J. Choi, J. I. Pascual, M. M. Ugeda, P. Ordejon, E. Canadell. Nano Letters. 19, 3027 (2019). https://doi.org/10.1021/acs.nanolett.9b00268    
     

2018

Strain Tuning of the Anisotropy in the Optoelectronic Properties of TiS3. J. A. Silva-Guillen, E. Canadell, F. Guinea, R. Roldan. ACS Photonics. 5, 3231 (2018). https://doi.org/10.1021/acsphotonics.8b00467    
 

2017

Theory of 2D crystals: graphene and beyond. R. Roldan, L. Chirolli, E. Prada, J. A. Silva-Guillen, P. San-Jose, F. Guinea. Chemical Society Reviews. 46, 4387 (2017). https://doi.org/10.1039/C7CS00210F    
     
Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS3: electron doping and plasmons. J. A. Silva-Guillen, E. Canadell, P. Ordejon, F. Guinea, R. Roldan. 2D Materials. 4, 025085 (2017). https://doi.org/10.1088/2053-1583/aa6b92    
     

2016

Electronic structure of 2H-NbSe2 single-layers in the CDW state. J. A. Silva-Guillen, P. Ordejon, F. Guinea, E. Canadell. 2D Materials. 3, 035028 (2016). https://doi.org/10.1088/2053-1583/3/3/035028   logo repositorio 01
     
Electronic Band Structure of Transition Metal Dichalcogenides from Ab Initio and Slater-Koster Tight-Binding Model. J. A. Silva-Guillen, P. San-Jose, R. Roldan. Applied Sciences. 6, 284 (2016). https://doi.org/10.3390/app6100284   logo repositorio 01
     
Enhanced superconductivity in atomically thin TaS2. E. Navarro-Moratalla, J. O Island, S. Mañas-Valero, E. Pinilla-Cienfuegos, A. Castellanos-Gomez, J. Quereda, G. Rubio-Bollinger, L. Chirolli, J. A. Silva-Guillen, N. Agraït, G. A Steele, F. Guinea, H. S. J. Van der Zant, E. Coronado. Nature Communications. 7, 11043 (2016). https://doi.org/10.1038/ncomms11043   logo repositorio 01
     

2015

Tunneling and electronic structure of the two-gap superconductor MgB2. J. A. Silva-Guillen, Y. Noat, T. Cren, W. Sacks, E. Canadell, P. Ordejon. Physical Review B. 92, 064514 (2015). https://doi.org/10.1103/PhysRevB.92.064514    
     
Quasiparticle spectra of 2H-NbSe2: Two-band superconductivity and the role of tunneling selectivity. Y. Noat, J. A. Silva-Guillen, T. Cren, V. Cherkez, C. Brun, S. Pons, F. Debontridder, D. Roditchev, W. Sacks, L. Cario, P. Ordejon, A. García, E. Canadell. Physical Review B. 92, 134510 (2015)https://doi.org/10.1103/PhysRevB.92.134510    
     

2014

Electronic properties of single-layer and multilayer transition metal dichalcogenides MX2 (M = Mo, W and X = S, Se). R. Roldan, J. A. Silva-Guillen, M. P. Lopez-Sancho, E. Cappelluti, F. Guinea. Annalen der Physik. 9, 347 (2014). https://doi.org/10.1002/andp.201400128    
     
Momentum dependence of spin-orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides. R. Roldan, M. P. Lopez-Sancho, F. Guinea, E. Cappelluti, J. A. Silva-Guillen, P. Ordejon. 2D Materials. 3, 034003 (2014). https://doi.org/10.1088/2053-1583/1/3/034003    
     

2013

Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS2. E. Cappelluti, R. Roldan, J. A. Silva-Guillen, P. Ordejon, F. Guinea. Physical Review B. 88, 075409 (2013). https://doi.org/10.1103/PhysRevB.88.075409