Andrea Droghetti
Andrea Droghetti
E-mailová adresa ověřena na: tcd.ie
Název
Citace
Citace
Rok
Predicting d 0 magnetism: Self-interaction correction scheme
A Droghetti, CD Pemmaraju, S Sanvito
Physical Review B 78 (14), 140404, 2008
1282008
Assessment of density functional theory for iron (II) molecules across the spin-crossover transition
A Droghetti, D Alfè, S Sanvito
The Journal of chemical physics 137 (12), 124303, 2012
752012
Electron doping and magnetic moment formation in N-and C-doped MgO
A Droghetti, S Sanvito
Applied Physics Letters 94 (25), 252505, 2009
742009
Electric field control of valence tautomeric interconversion in Cobalt dioxolene
A Droghetti, S Sanvito
Physical review letters 107 (4), 047201, 2011
702011
Polaronic distortion and vacancy-induced magnetism in MgO
A Droghetti, CD Pemmaraju, S Sanvito
Physical Review B 81 (9), 092403, 2010
702010
Electronic and magnetic properties of the interface between metal-quinoline molecules and cobalt
A Droghetti, S Steil, N Großmann, N Haag, H Zhang, M Willis, WP Gillin, ...
Physical Review B 89 (9), 094412, 2014
422014
Robust Organic Radical Molecular Junctions Using Acetylene Terminated Groups for C–Au Bond Formation
F Bejarano, IJ Olavarria-Contreras, A Droghetti, I Rungger, A Rudnev, ...
Journal of the American Chemical Society 140 (5), 1691-1696, 2018
352018
MgN: A possible material for spintronic applications
A Droghetti, N Baadji, S Sanvito
Physical Review B 80 (23), 235310, 2009
352009
Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor
S Yan, L Malavolti, JAJ Burgess, A Droghetti, A Rubio, S Loth
Science Advances 3 (5), e1603137, 2017
342017
Dynamic spin filtering at the Co/Alq3 interface mediated by weakly coupled second layer molecules
A Droghetti, P Thielen, I Rungger, N Haag, N Großmann, J Stöckl, ...
Nature communications 7, 12668, 2016
342016
Controlling the Spin Texture of Topological Insulators by Rational Design of Organic Molecules
S Jakobs, A Narayan, B Stadtmüller, A Droghetti, I Rungger, YS Hor, ...
Nano letters 15 (9), 6022-6029, 2015
342015
Stable anchoring chemistry for room temperature charge transport through graphite-molecule contacts
AV Rudnev, V Kaliginedi, A Droghetti, H Ozawa, A Kuzume, M Haga, ...
Science Advances 3 (6), e1602297, 2017
242017
Quantum transport simulation scheme including strong correlations and its application to organic radicals adsorbed on gold
A Droghetti, I Rungger
Physical Review B 95, 085131, 2017
222017
Spin-dependent electronic structure of the Co/Al (OP) 3 interface
S Müller, S Steil, A Droghetti, N Großmann, V Meded, A Magri, B Schäfer, ...
New Journal of Physics 15 (11), 113054, 2013
202013
Diffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe (NCH) 6] 2+
M Fumanal, LK Wagner, S Sanvito, A Droghetti
Journal of Chemical Theory and Computation 12 (9), 4233-4241, 2016
182016
Ab initio transport across bismuth selenide surface barriers
A Narayan, I Rungger, D Andrea, S Sanvito
Physical Review B 90 (20), 205431, 2014
182014
Ground state of a spin-crossover molecule calculated by diffusion Monte Carlo
A Droghetti, D Alfe, S Sanvito
Physical Review B 87 (20), 205114, 2013
172013
Fundamental gap of molecular crystals via constrained density functional theory
A Droghetti, I Rungger, CD Pemmaraju, S Sanvito
Physical Review B 93 (19), 195208, 2016
162016
Electronic structure of metal quinoline molecules from G 0 W 0 calculations
A Droghetti, M Cinchetti, S Sanvito
Physical Review B 89 (24), 245137, 2014
162014
Covalent Modification of Highly Ordered Pyrolytic Graphite with a Stable Organic Free Radical by Using Diazonium Chemistry
G Seber, AV Rudnev, A Droghetti, I Rungger, J Veciana, M Mas‐Torrent, ...
Chemistry-A European Journal 23 (6), 1415-1421, 2017
122017
Systém momentálně nemůže danou operaci provést. Zkuste to znovu později.
Články 1–20