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Royo Valls

Contact Data

Phone: + 34 935 801 853
Ext: 283
Fax: + 34 935 805 729
E-mail: [javascript protected email address]
Dep: Materials Simulation and Theory

Research interest

My research at ICMAB is mainly devoted to heat transport simulation. I have developed an efficient computational software for atomistic quantum phonon transport  based on nonequilibrium Green's functions that can be applied to study lattice thermal transport problems in multiple crystalline materials. I combine this type of simulations with classical molecular dynamics on different heterostructured materials, ranging from ferroelectric domain walls to semiconductor nanowires or molecular systems, to devise heat transport functionalities such as thermal switchers, filters or rectifiers with potential applications in the field of phononics.

In parallel, I am continuously active in the research on semiconductor core-multishell nanowires, a topic in which I have been working since 2011. In particular I am interested in the electronic, magnetotransport and optical properties of free electron and/or hole gases accumulated in modulation-doped radial nanowire heterojunctions.



University Degrees

Graduated in Chemistry (2005)
Universitat Jaume I, Spain



Doctorate, University and Year:

Ph.D. in Theoretical and Computational Chemistry (2010)
Universitat Jaume I, Spain


Numerical and analytical methods for effective mass simulations of electronic and optical properties of semiconductor nanostructures under external fields. Full Configuration Interaction and Density Functional Theory  methods to study strong correlated systems. Random Phase Approximation and Time Dependent Local Density Approximation to study elementary excitations of electron gases in extended systems. Atomistic simulation methods for phonon (heat) transport in heterostructures, non-equilibrium Green's function formalism and molecular dynamics simulations.

Most significative academic merits

2015   Beatriu de Pinós postdoctoral fellowship at ICMAB-CSIC, Spain

2013   Val I+D postdoctoral fellowship at Universitat Jaume I (Castelló, Spain) and at the CNR-NANO Institute (Modena, Italy)

2011   Postdoc at the CNR-NANO Institute (Modena, Italy)


Ph.D. of the year on Basic Sciences (2012)
Universitat Jaume I, Spain

Banco Santander young researchers awards (2015)
Universitat Jaume I, Spain


Scientific Highlights

  1. M. Royo and R. Rurali, Tuning thermal transport in Si nanowires by isotope engineering, Phys. Chem. Chem. Phys 18, 26262 (2016).
  2. M. Royo, C. Segarra, A. Bertoni, G. Goldoni, and J. Planelles, Aharonov-Bohm oscillations and electron gas transitions in hexagonal core-shell nanowires with an axial magnetic field, Physical Review B 91, 115440 (2015).
  3. J. Jadczak, P. Plochocka, A. Mitioglu, I. Breslavetz, M. Royo, A. Bertoni , G. Goldoni, T. Smolenski, P. Kossacki, A. Kretinin, Hadas Shtrikman and D. K. Maude, Unintentional High-Density p-Type Modulation Doping of a GaAs/AlAs Core–Multishell Nanowires, Nano Letters 14, 2807 (2014).
  4. S. Funk, M. Royo, I. Zardo, D. Rudolph, S. Morkötter, B. Mayer, J. Becker, A. Bechtold,  S. Matich, M. Döblinger, M. Bichler, G. Koblmueller, J. Finley, A. Bertoni, G. Goldoni, G. Abstreiter, High mobility one- and two- dimensional electron systems in nanowire-based quantum heterostructures, Nano Letters 13, 6189 (2013).
  5. M. Royo, A. Bertoni and G. Goldoni, Landau levels, edge states and magnetoconductance in GaAs/AlGaAs core-shell nanowires, Physical Review B 87, 115316 (2013).