Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics

Yajing Sun, Zhigang Shuai, Dong Wang
2018 Physical Chemistry, Chemical Physics - PCCP  
Our first-principles molecular dynamics simulation demonstrates that puckered AsP monolayer has reduced thermal conductivity and increased anisotropy as compared to black phosphorene.
doi:10.1039/c8cp01840e pmid:29745395 fatcat:qul6hra3rnbevpvkhpk4sr7wei