21 citations · 48 across the 4 of their papers we have counts for
6 papers
Higher order anharmonicity and polymorphism in the lattice thermal conductivity of transition metal dichalcogenides
Marta Loletti, Qi Ren, Zhuyao Chang +6
We present a comprehensive {\it ab initio} study of the effect of higher-order anharmonicity and polymorphism on the lattice thermal conductivity, , of single-layer transi…
An exciting approach to theoretical spectroscopy
Martí Raya-Moreno, Alexander Buccheri, Noah Alexy Dasch +27
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a var…
Phonon dynamics for light dark matter detection
Martí Raya-Moreno, Bradley J. Kavanagh, Lourdes Fàbrega +1
The search for low-mass dark matter (DM) goes in parallel with the identification of new detection channels and the development of suitable detectors. Detection of the resulting sm…
Hydrodynamic signatures in thermal transport in devices based on 2D materials: an ab initio study
Martí Raya-Moreno, Jesús Carrete, Xavier Cartoixà
We investigate the features arising from hydrodynamic effects in graphene and phosphorene devices with finite heat sources, using ab initio calculations to go beyond Callaway's mod…
BTE-Barna: An extension of almaBTE for thermal simulation of devices based on 2D materials
Martí Raya-Moreno, Xavier Cartoixà, Jesús Carrete
We present BTE-Barna (Boltzmann Transport Equation - Beyond the Rta for NAnosystems), a software package that extends the Monte Carlo (MC) module of the almaBTE solver of the Peier…
Thermal conductivity for III-V and II-VI semiconductor wurtzite and zinc-blende polytypes: the role of anharmonicity and phase space
Martí Raya-Moreno, Riccardo Rurali, Xavier Cartoixà
We calculate the lattice thermal conductivity () for cubic (zinc-blende) and hexagonal (wurtzite) phases for 8 semiconductors using calculations and solving…