Peitao Liu
Cited by
Cited by
Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion
H Niu, XQ Chen, P Liu, W Xing, X Cheng, D Li, Y Li
Scientific reports 2 (1), 718, 2012
Cubic scaling GW: Towards fast quasiparticle calculations
P Liu, M Kaltak, J Klimeš, G Kresse
Physical Review B 94 (16), 165109, 2016
Anisotropic magnetic couplings and structure-driven canted to collinear transitions in SrIrO by magnetically constrained noncollinear DFT
P Liu, S Khmelevskyi, B Kim, M Marsman, D Li, XQ Chen, DD Sarma, ...
Physical Review B 92 (5), 054428, 2015
GW100: A Plane Wave Perspective for Small Molecules
E Maggio, P Liu, MJ van Setten, G Kresse
Journal of chemical theory and computation 13 (2), 635-648, 2017
Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
C Verdi, F Karsai, P Liu, R Jinnouchi, G Kresse
npj Computational Materials 7 (1), 156, 2021
Beyond the quasiparticle approximation: Fully self-consistent GW calculations
M Grumet, P Liu*, M Kaltak, J Klimeš, G Kresse*
Physical Review B 98 (15), 155143, 2018
Flatband λ-Ti3O5 towards extraordinary solar steam generation
B Yang, Z Zhang, P Liu, X Fu, J Wang, Y Cao, R Tang, X Du, W Chen, S Li, ...
Nature 622 (7983), 499-506, 2023
Interstitial-boron solution strengthened WB
X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ...
Applied Physics Letters 103 (17), 2013
Merging GW with DMFT and non-local correlations beyond
JM Tomczak, P Liu, A Toschi, G Kresse, K Held
The European Physical Journal Special Topics 226, 2565-2590, 2017
Effects of dilute substitutional solutes on interstitial carbon in -Fe: Interactions and associated carbon diffusion from first-principles calculations
P Liu, W Xing, X Cheng, D Li, Y Li, XQ Chen
Physical Review B 90 (2), 024103, 2014
Relativistic +BSE study of the optical properties of Ruddlesden-Popper iridates
P Liu, B Kim, XQ Chen, DD Sarma, G Kresse, C Franchini
Physical Review Materials 2 (7), 075003, 2018
Deciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics
MH Zhang, C Shen, C Zhao, M Dai, FZ Yao, B Wu, J Ma, H Nan, D Wang, ...
Nature Communications 13 (1), 3434, 2022
Converged quasiparticle energies for transition metal oxide perovskites
Z Ergönenc, B Kim, P Liu, G Kresse, C Franchini
Physical Review Materials 2 (2), 024601, 2018
Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO
SL Dudarev†, P Liu†, DA Andersson, CR Stanek, T Ozaki, C Franchini
Physical Review Materials 3 (8), 083802, 2019
Dimensionality-strain phase diagram of strontium iridates
B Kim, P Liu, C Franchini
Physical Review B 95 (11), 115111, 2017
Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO
P Liu, C Franchini, M Marsman, G Kresse
Journal of Physics: Condensed Matter 32, 015502, 2019
First-principles study on the electronic structure of PbCu(PO)O (x= 0, 1)
J Lai, J Li, P Liu*, Y Sun*, XQ Chen
Journal of Materials Science & Technology 171, 66-70, 2023
Energetics of the coupled electronic–structural transition in the rare-earth nickelates
A Hampel, P Liu, C Franchini, C Ederer
npj Quantum Materials 4 (1), 5, 2019
Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in
B Kim, P Liu, Z Ergönenc, A Toschi, S Khmelevskyi, C Franchini
Physical Review B 94 (24), 241113, 2016
Parent structures of near-ambient nitrogen-doped lutetium hydride superconductor
M Liu, X Liu, J Li, J Liu, Y Sun, XQ Chen, P Liu
Physical Review B 108 (2), L020102, 2023
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