222 citations · 581 across the 7 of their papers we have counts for
7 papers
Intrinsic point defects and the - and -type dopability of the narrow gap semiconductors GaSb and InSb
J. Buckeridge, T. D. Veal, C. R. A. Catlow +1
The presence of defects in the narrow-gap semiconductors GaSb and InSb affects their dopability and hence applicability for a range of optoelectronic applications. Here, we report…
The electronic band structure and optical properties of boron arsenide
John Buckeridge, David O. Scanlon
We compute the electronic band structure and optical properties of boron arsenide using the relativistic quasiparticle self-consistent approach, including electron-hole intera…
Donor and Acceptor Characteristics of Native Point Defects in GaN
Zijuan Xie, Yu Sui, John Buckeridge +8
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood.…
Assignment of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN
Zijuan Xie, Yu Sui, John Buckeridge +3
Oxygen is the most common unintentional impurity found in GaN. We study the interaction between substitutional oxygen (ON) and the gallium vacancy (VGa) to form a point defect comp…
Electron counting in solids: oxidation states, partial charges and ionicity
Aron Walsh, Alexey A. Sokol, John Buckeridge +2
In this short viewpoint, we discuss the assignment of ionic charges in solids. We argue that formal oxidation states serve a useful function, and that absolute values of partial ch…
Anharmonicity in the high-temperature Cmcm phase of SnSe: soft modes and three-phonon interactions
Jonathan M. Skelton, Lee A. Burton, Stephen C. Parker +8
The layered semiconductor SnSe is one of the highest-performing thermoelectric materials known. We demonstrate, through a first-principles lattice-dynamics study, that the high-tem…
Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals
J. Buckeridge, C. R. A. Catlow, D. O. Scanlon +6
We report accurate energetics of defects introduced in GaN on doping with divalent metals, focussing on the technologically important case of Mg doping, using a model which takes i…