Peitao Liu
TitleCited byYear
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, 718, 2012
972012
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
562015
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
502013
Cubic scaling G W: Towards fast quasiparticle calculations
P Liu, M Kaltak, J Klimeš, G Kresse
Physical Review B 94 (16), 165109, 2016
422016
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
392014
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
312017
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
252017
Dimensionality-strain phase diagram of strontium iridates
B Kim, P Liu, C Franchini
Physical Review B 95 (11), 115111, 2017
212017
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
152018
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
152016
Magnetic properties of bilayer : Role of epitaxial strain and oxygen vacancies
B Kim, P Liu, C Franchini
Physical Review B 95 (2), 024406, 2017
122017
Vacancy formation enthalpy of filled d-band noble metals by hybrid functionals
W Xing, P Liu, X Cheng, H Niu, H Ma, D Li, Y Li, XQ Chen
Physical Review B 90 (14), 144105, 2014
122014
Beyond the quasiparticle approximation: Fully self-consistent calculations
M Grumet, P Liu, M Kaltak, J Klimeš, G Kresse
Physical Review B 98 (15), 155143, 2018
102018
First-principles studies of hydrogen behavior interacting with oxygen-enriched nanostructured particles in the ODS steels
W Xing, XQ Chen, P Liu, X Wang, P Zhang, D Li, Y Li
International Journal of Hydrogen Energy 39 (32), 18506-18519, 2014
92014
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
72019
Fast and Huge Anisotropic Diffusion of Cu (Ag) and Its Resistance on the Sn Self-diffusivity in Solid β–Sn
P Liu, S Wang, D Li, Y Li, XQ Chen
Journal of Materials Science & Technology 32 (2), 121-128, 2016
72016
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
62018
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
52016
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
22018
Parametrization of for noncollinear magnetic configurations: Multipolar magnetism in
SL Dudarev, P Liu, DA Andersson, CR Stanek, T Ozaki, C Franchini
Physical Review Materials 3 (8), 083802, 2019
2019
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Articles 1–20