Peitao Liu
Geciteerd door
Geciteerd door
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), 1-6, 2012
Cubic scaling G W: 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 Sr 2 IrO 4 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
Interstitial-boron solution strengthened WB3+x
X Cheng, W Zhang, XQ Chen, H Niu, P Liu, K Du, G Liu, D Li, HM Cheng, ...
Applied Physics Letters 103 (17), 171903, 2013
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
Beyond the quasiparticle approximation: Fully self-consistent G W calculations
M Grumet, P Liu*, M Kaltak, J Klimeš, G Kresse*
Physical Review B 98 (15), 155143, 2018
Effects of dilute substitutional solutes on interstitial carbon in α-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
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 (11), 2565-2590, 2017
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
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
Dimensionality-strain phase diagram of strontium iridates
B Kim, P Liu, C Franchini
Physical Review B 95 (11), 115111, 2017
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
Electron and hole doping in the relativistic Mott insulator Sr 2 IrO 4: A first-principles study using band unfolding technique
P Liu, M Reticcioli, B Kim, A Continenza, G Kresse, DD Sarma, XQ Chen, ...
Physical Review B 94 (19), 195145, 2016
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
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), 1-7, 2019
Parametrization of LSDA+ U for noncollinear magnetic configurations: Multipolar magnetism in UO 2
SL Dudarev†, P Liu†, DA Andersson, CR Stanek, T Ozaki, C Franchini
Physical Review Materials 3 (8), 083802, 2019
Magnetic properties of bilayer : Role of epitaxial strain and oxygen vacancies
B Kim, P Liu, C Franchini
Physical Review B 95 (2), 024406, 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), 1-9, 2021
Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals
A Tal, P Liu, G Kresse, A Pasquarello
Phys. Rev. Research 2, 032019(R), 2020
Strain-induced tuning of the electronic Coulomb interaction in transition metal oxide perovskites
B Kim, P Liu, JM Tomczak, C Franchini
Physical Review B 98 (7), 075130, 2018
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