879 citations · 2.4k across the 21 of their papers we have counts for
21 papers
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials
Andrea Floris, Iurii Timrov, Burak Himmetoglu +3
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+ ground state. The implementation includes u…
First-principles analysis of electron transport in BaSnO
Karthik Krishnaswamy, Burak Himmetoglu, Youngho Kang +2
BaSnO (BSO) is a promising transparent conducting oxide (TCO) with reported room-temperature (RT) Hall mobility exceeding 320 cmVs. Among perovskite oxides,…
Tree based machine learning framework for predicting ground state energies of molecules
Burak Himmetoglu
We present an application of the boosted regression tree algorithm for predicting ground state energies of molecules made up of C, H, N, O, P, and S (CHNOPS). The PubChem chemical…
Transport properties of KTaO from first-principles
Burak Himmetoglu, Anderson Janotti
The transport properties of the perovskites KTaO are calculated using first-principles methods. Our study is based on Boltzmann transport theory and the relaxation time approxi…
Energetic, spatial and momentum character of a buried interface: the two-dimensional electron gas between two metal oxides
S. Nemšák, G. Conti, A. X. Gray +32
The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications, and are the subject of intense st…
Tuning bad metal and non-Fermi liquid behavior in a Mott material: rare earth nickelate thin films
Evgeny Mikheev, Adam J. Hauser, Burak Himmetoglu +4
Resistances that exceed the Mott-Ioffe-Regel limit, known as bad metal behavior, and non-Fermi liquid behavior are ubiquitous features of the normal state of many strongly correlat…