Giancarlo Trimarchi
Giancarlo Trimarchi
Thermo-Calc Software AB
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TitoloCitata daAnno
Stereochemical effects in supramolecular self-assembly at surfaces: 1-D versus 2-D enantiomorphic ordering for PVBA and PEBA on Ag (111)
JV Barth, J Weckesser, G Trimarchi, M Vladimirova, A De Vita, C Cai, ...
Journal of the American Chemical Society 124 (27), 7991-8000, 2002
Global space-group optimization problem: Finding the stablest crystal structure without constraints
G Trimarchi, A Zunger
Physical Review B 75 (10), 104113, 2007
Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials
D Korotin, AV Kozhevnikov, SL Skornyakov, I Leonov, N Binggeli, ...
The European Physical Journal B 65 (1), 91, 2008
Structural and electronic properties of LaMnO_ {3} under pressure: An ab initio LDA+ U study
G Trimarchi, N Binggeli
Physical Review B 71 (3), 035101, 2005
Using design principles to systematically plan the synthesis of hole-conducting transparent oxides: Cu3VO4 and Ag3VO4 as a case study
G Trimarchi, H Peng, J Im, AJ Freeman, V Cloet, A Raw, ...
Physical Review B 84 (16), 165116, 2011
Mesoscopic chiral reshaping of the Ag (110) surface induced by the organic molecule PVBA
JI Pascual, JV Barth, G Ceballos, G Trimarchi, A De Vita, K Kern, HP Rust
The Journal of chemical physics 120 (24), 11367-11370, 2004
Predicting stable stoichiometries of compounds via evolutionary global space-group optimization
G Trimarchi, AJ Freeman, A Zunger
Physical Review B 80 (9), 092101, 2009
CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties
I Todorov, DY Chung, CD Malliakas, Q Li, T Bakas, A Douvalis, ...
Journal of the American Chemical Society 131 (15), 5405-5407, 2009
Possible pitfalls in theoretical determination of ground-state crystal structures: The case of platinum nitride
X Zhang, G Trimarchi, A Zunger
Physical Review B 79 (9), 092102, 2009
LDA+ DMFT implemented with the pseudopotential plane-wave approach
G Trimarchi, I Leonov, N Binggeli, D Korotin, VI Anisimov
Journal of Physics: Condensed Matter 20 (13), 135227, 2008
Finding the lowest-energy crystal structure starting from randomly selected lattice vectors and atomic positions: first-principles evolutionary study of the Au–Pd, Cd–Pt, Al–Sc …
G Trimarchi, A Zunger
Journal of Physics: Condensed Matter 20, 295212, 2008
Polymorphous band structure model of gapping in the antiferromagnetic and paramagnetic phases of the Mott insulators MnO, FeO, CoO, and NiO
G Trimarchi, Z Wang, A Zunger
Physical Review B 97 (3), 035107, 2018
Cs2PbI2Cl2, All-Inorganic Two-Dimensional Ruddlesden–Popper Mixed Halide Perovskite with Optoelectronic Response
J Li, Q Yu, Y He, CC Stoumpos, G Niu, GG Trimarchi, H Guo, G Dong, ...
Journal of the American Chemical Society 140 (35), 11085-11090, 2018
Strain-minimizing tetrahedral networks of semiconductor alloys
JZ Liu, G Trimarchi, A Zunger
Physical review letters 99 (14), 145501, 2007
Defect anti-perovskite compounds Hg3Q2I2 (Q=S, Se and Te) for Room Temperature Hard Radiation Detection
He, Kontsevoi, Stoumpos, Trimarchi, Islam, Liu, Kostina, Das, Wessels, ...
Journal of the American Chemical Society, 2017
Structural, Optical, and Transport Properties of alpha- and beta-Ag3VO4
V Cloet, A Raw, KR Poeppelmeier, et al.
Chemistry of Materials 24 (17), 3346-3354, 2012
Local and long-range order of carbon impurities on Fe (100): Analysis of self-organization at a nanometer scale
G Panaccione, J Fujii, I Vobornik, G Trimarchi, N Binggeli, A Goldoni, ...
Physical Review B 73 (3), 035431, 2006
Structurally unstable AIIIBiO3 perovskites are predicted to be topological insulators but their stable structural forms are trivial band insulators
G Trimarchi, X Zhang, A Freeman, A Zunger
Phys. Rev. B 90, 161111, 2014
Substrate-induced supramolecular ordering of functional molecules: theoretical modelling and STM investigation of the PEBA/Ag (1 1 1) system
M Vladimirova, G Trimarchi, A Baldereschi, J Weckesser, K Kern, JV Barth, ...
Acta materialia 52 (6), 1589-1595, 2004
Structure prediction and targeted synthesis: A new diazenide crystalline structure
X Zhang, A Zunger, G Trimarchi
The Journal of chemical physics 133 (19), 194504, 2010
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