65 citations · 113 across the 2 of their papers we have counts for
5 papers
Mechanisms of pyroelectricity in three- and two-dimensional materials
Jian Liu, Sokrates T. Pantelides
Pyroelectricity is a very promising phenomenon in three- and two-dimensional (2D) materials, but first-principles calculations have not so far been used to elucidate the underlying…
First-principles study of pyroelectricity in GaN and ZnO
Jian Liu, Maria V. Fernández-Serra, Philip B. Allen
First-principles calculations are made for the primary pyroelectric coefficients of wurtzite GaN and ZnO. The pyroelectricity is attributed to the quasiharmonic thermal shifts of i…
Temperature and composition dependence of the band gaps of GaInN alloy: a first-principles study based on the virtual crystal approximation
Jian Liu
We report on the structural, electronic and vibrational properties of the GaInN alloy using virtual crystal approximation (VCA) from first-principles. A band gap bowing…
Application of bond valence method in the non-isovalent semiconductor alloy (GaN)(ZnO)
Jian Liu
This paper studies the bond valence method (BVM) and its application in the non-isovalent semiconductor alloy (GaN)(ZnO). Particular attention is paid to th…
Special Quasi-ordered Structures: role of short-range order in the semiconductor alloy (GaN)(ZnO)
Jian Liu, Maria V. Fernández-Serra, Philip B. Allen
This paper studies short-range order (SRO) in the semiconductor alloy (GaN)(ZnO). Monte Carlo simulations performed on a density functional theory (DFT)-based cluster e…