Publications

Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory

Akinlolu Akande and Stefano Sanvito

J. Phys.: Condens. Matter 24, 055602 (2012)

2012

pubPapers

Quantum transport of Au-S-S-Au nanoscale junctions

Jing-Xin Yu, Xiang-Rong Chen, Stefano Sanvito and Yan Cheng

Appl. Phys. Lett. 100, 013113 (2012)

2012

pubPapers

Tailoring magnetoresistance at the atomic level: An ab initio study

Kun Tao, V.S. Stepanyuk, I. Rungger and S. Sanvito

Phys. Rev. B 85, 045406 (2012)

2012

pubPapers

Electron correlation and magnetism in molecules and solids

Andrea Droghetti

PhD, University of Dublin, 2012

2012

pubThesis

Spin-Dependent Transport in Multifunctional Tunnel Junctions

Nuala Mai Caffrei

PhD, University of Dublin, 2012

2012

pubThesis

Spin scattering and spin-polarized hybrid interface states at a metal-organic interface

T. Methfessel, S. Steil, N. Baadji, N. Großmann, K. Koffler, S. Sanvito, M. Aeschlimann, M. Cinchetti and H. J. Elmers

Phys. Rev. B 84, 224403 (2011)

2011

pubPapers

Scattered surface charge density: A tool for surface characterization

Borislav Naydenov, Mauro Mantega, Ivan Rungger, Stefano Sanvito and John J. Boland

Phys. Rev. B 84, 195321 (2011)

2011

pubPapers

Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules

A. Filippetti, C. D. Pemmaraju, S. Sanvito, P. Delugas, D. Puggioni and Vincenzo Fiorentini

Phys. Rev. B 84, 195127 (2011)

2011

pubPapers

Spin transport in higher n-acene molecules

R. Pilevarshahri, I. Rungger, T. Archer, S. Sanvito and N. Shahtahmassebi

Phys. Rev. B 84, 174437 (2011)

2011

pubPapers

Electrical control of spin dynamics in finite one-dimensional systems

A. Pertsova, M. Stamenova, and S. Sanvito

Phys. Rev. B 84, 155436 (2011)

2011

pubPapers

From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport

Ante Bilić, Julian D. Gale and Stefano Sanvito

Phys. Rev. B 84, 205436 (2011)

2011

pubPapers

Perturbative approach to the Kondo effect in magnetic atoms on nonmagnetic substrates

Aaron Hurley, Nadjib Baadji, and Stefano Sanvito

Phys. Rev. B 84, 115435 (2011)

2011

pubPapers

From zigzag to armchair: the energetic stability, electronic and magnetic properties of chiral graphene nanoribbons with hydrogen-terminated edges

Lili Sun, Peng Wei, Jianhua Wei, Stefano Sanvito and Shimin Hou

J. Phys.: Condens. Matter 23, 425301, 2011

2011

pubPapers

Comparison between s- and d-electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods

Anders Odell, Anna Delin, Börje Johansson, Kanchan Ulman, Shobhana Narasimhan, Ivan Rungger and Stefano Sanvito

Phys. Rev. B 84, 165402 (2011)

2011

pubPapers

Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods

T. Archer, C. D. Pemmaraju, S. Sanvito, C. Franchini, J. He, A. Filippetti, P. Delugas, D. Puggioni, V. Fiorentini, R. Tiwari and P. Majumdar

Phys. Rev. B 84, 115114 (2011)

2011

pubPapers

Current-induced energy barrier suppression for electromigration from first principles

Ruoxing Zhang, Ivan Rungger, Stefano Sanvito and Shimin Hou

Phys. Rev. B 84, 085445 (2011)

2011

pubPapers

Effects of edge chemistry doping on graphene nanoribbon mobility

Yijian Ouyang, Stefano Sanvito and Jing Guo

Surface Science 605, 1643 (2011)

2011

pubPapers

Spin transport properties of single metallocene molecules attached to single-walled carbon nanotubes via nickel adatoms

Peng Wei, Lili Sun, Enrico Benassi, Ziyong Shen, Stefano Sanvito and Shimin Hou

J. Chem. Phys. 134, 244704 (2011)

2011

pubPapers

The search for a spin crossover transition in small sized π-conjugated molecules: a Monte Carlo study

S. Bhattacharya, M.S. Ferreira and S. Sanvito

J. Phys.: Condens. Matter 23, 316001 (2011)

2011

pubPapers

Spin-flip inelastic electron tunneling spectroscopy in atomic chains

Aaron Hurley, Nadjib Baadji, and Stefano Sanvito

Phys. Rev. B 84, 035427 (2011)

2011

pubPapers

Electric Field Control of Valence Tautomeric Interconversion in Cobalt Dioxolene

A. Droghetti and S. Sanvito

Phys. Rev. Lett. 107, 047201 (2011)

2011

pubPapers

Organic spintronics: Filtering spins with molecules

Stefano Sanvito

Nature Materials 10, 484 (2011)

2011

pubPapers

Exceptionally strong magnetism in the 4d perovskites RTcO3 (R=Ca, Sr, Ba)

C. Franchini, T. Archer, Jiangang He, Xing-Qiu Chen, A. Filippetti and S. Sanvito

Phys. Rev. B 83, 220402(R) (2011)

2011

pubPapers

Molecular Spintronics

Stefano Sanvito

Chem. Soc. Rev., 40, 3336 (2011)

2011

pubPapers

Prediction of large bias-dependent magnetoresistance in all-oxide magnetic tunnel junctions with a ferroelectric barrier

Nuala M. Caffrey, Thomas Archer, Ivan Rungger and Stefano Sanvito

Phys. Rev. B 83, 125409 (2011)

2011

pubPapers

Ab Initio Calculations of Structural Evolution and Conductance of Benzene-1,4-dithiol on Gold Leads

Renato Borges Pontes, Alexandre Reily Rocha, Stefano Sanvito, Adalberto Fazzio and Antnio Jos Roque da Silva

ACS Nano 5, 795 (2011)

2011

pubPapers

Chapter 7: Electron Transport Theory for Large Systems

Stefano Sanvito

Computational Nanoscience, RSC Publishing, London (UK)

2011

pubBooks

Computational studies of correlated 1D and 3D systems: a density functional theory approach

Akinlolu Akande

PhD University of Dublin, 2011

2011

pubThesis

First principles studies of molecular spintronics devices

D. Sankar Kesanakurthi

PhD University of Dublin, 2011

2011

pubThesis

Electric field response of strongly correlated one-dimensional metals: A Bethe ansatz density functional theory study

Akinlolu Akande and Stefano Sanvito

Phys. Rev. B 82, 245114 (2010)

2010

pubPapers

Low-bias conductance of single benzene molecules contacted by direct Au–C and Pt–C bonds

Guohui Ma, Xin Shen, Lili Sun, Ruoxing Zhang, Peng Wei, Stefano Sanvito and Shimin Hou

Nanotecnology 21, 495202 (2010)

2010

pubPapers

Anomalous I–V curve for mono-atomic carbon chains

Bo Song, Stefano Sanvito and Haiping Fang

New J. Phys. 12, 103017 (2010)

2010

pubPapers

Mixed Low-Dimensional Nanomate- rial: 2D Ultranarrow MoS2 Inorganic Nanoribbons Encapsulated in Quasi-1D Carbon Nanotubes

Zhiyong Wang, Hong Li, Zheng Liu, Zujin Shi, Jing Lu, Kazutomo Suenaga, Soon-Kil Joung, Toshiya Okazaki, Zhennan Gu, Jing Zhou, Zhengxiang Gao, Guangping Li, Stefano Sanvito, Enge Wang, and Sumio Iijima

J. Am. Chem. Soc. 132, 13840 (2010)

2010

pubPapers

Computational modeling of a carbon nanotube-based DNA nanosensor

R Kalantari-Nejad, M Bahrami, H Rafii-Tabar, I Rungger and S Sanvito

Nanotechnology 21, 445501 (2010)

2010

pubPapers

Seeing the spin through

Stefano Sanvito

Nature (London) 467, 664 (2010)

2010

pubPapers

Controlled sequential dehydrogenation of single molecules by scanning tunneling microscopy

Nadjib Baadji, Stefan Kuck, Jens Brede, Germar Hoffmann, Roland Wiesendanger and Stefano Sanvito

Phys. Rev. B 82, 115447 (2010)

2010

pubPapers

Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands

C. D. Pemmaraju, I. Rungger, X. Chen, A. R. Rocha and S. Sanvito

Phys. Rev. B 82, 125426 (2010)

2010

pubPapers

Spin transport properties of 3d transition metal(II) phthalocyanines in contact with single-walled carbon nanotube electrodes

Xin Shen, Lili Sun, Zelong Yi, Enrico Benassi, Ruoxing Zhang, Ziyong Shen, Stefano Sanvito and Shimin Hou

Phys. Chem. Chem. Phys. 12, 10805 (2010)

2010

pubPapers

Magnetic interaction of Co ions near the (101bar0) ZnO surface

Thomas Archer, Chaitanya Das Pemmaraju and Stefano Sanvito

New J. Phys. 12, 083061 (2010)

2010

pubPapers

Electronic transport across S9 sulfur clusters

Jing-Xin Yu, Xiang-Rong Chen and S. Sanvito

Phys. Rev. B 82, 085415 (2010)

2010

pubPapers

Quantum conductance of a single magnetic atom: An ab initio study

Kun Tao, I, Rungger, S. Sanvito and V. S. Stepanyuk

Phys. Rev. B 82, 085412 (2010)

2010

pubPapers

Molecular spintronics: The rise of spinterface science

S. Sanvito

Nature Physics 6, 562 (2010)

2010

pubPapers

Finite-bias electronic transport of molecules in a water solution

I. Rungger, X. Chen, U. Schwingenschlögl and S. Sanvito

Phys. Rev. B 81, 235407 (2010)

2010

pubPapers

Investigation of the Conducting Properties of a Photoswitching Dithienylethene Molecule

Anders Odell, Anna Delin, Brje Johansson, Ivan Rungger and Stefano Sanvito

ACS Nano 10.1021/nn100217r

2010

pubPapers

Selection of single-walled carbon nanotubes according to both their diameter and chirality via nanotweezer

J. Zhou, H. Li, J. Lu, G.F. Luo, L. Lai, R. Qin, L. Wang, S. Nagase, Z.X. Gao, W.N. Mei, G.P. Li, D.P. Yu and S. Sanvito

Nano Res. 3, 296 (2010)

2010

pubPapers

Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence

A. Bilic, Z. Crljen, B. Gumhalter, J.D. Gale, and S. Sanvito

Phys. Rev. B 81, 155101 (2010)

2010

pubPapers

Tuning the Magneto-Transport Properties of Nickel−Cyclopentadienyl Multidecker Clusters by Molecule−Electrode Coupling Manipulation

Zelong Yi, Xin Shen, Lili Sun, Ziyong Shen, Shimin Hou and Stefano Sanvito

ACS Nano 4, 2274 (2010)

2010

pubPapers

Oxygen defect origin of ferromagnetism in ZnCoO

Ruairi Hanafin and Stefano Sanvito

J. Magn. Magn. Mater. 322, 1209 (2010)

2010

pubPapers

Electronic transport calculations for the conductance of Pt–1,4-phenylene diisocyanide–Pt molecular junctions

Ruoxing Zhang, Guohui Ma, Meilin Bai, Lili Sun, Ivan Rungger, Ziyong Shen, Stefano Sanvito and Shimin Hou

Nanotechnology 21, 155203 (2010)

2010

pubPapers

Polaronic distortion and vacancy-induced magnetism in MgO

A. Droghetti, C. D. Pemmaraju, and S. Sanvito

Phys. Rev. B 81, 092403 (2010)

2010

pubPapers

Magnetism of wurtzite CoO nanoclusters

Ruairi Hanafin, Thomas Archer and Stefano Sanvito

Phys. Rev. B 81, 054441 (2010)

2010

pubPapers

Magnetism in carbon nanoscrolls: Quasi-half-metals and half-metals in pristine hydrocarbons

Lin Lai, Jing Lu, Lu Wang, Guangfu Luo, Jing Zhou, Rui Qin, Yu Chen, Hong Li, Zhengxiang Gao, Guangping Li, Wai Ning Mei, Yutaka Maeda, Takeshi Akasaka and Stefano Sanvito

Nano Res. 2, 844 (2009)

2010

pubPapers

Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes

Xin Shen, Lili Sun, Enrico Benassi, Ziyong Shen, Xingyu Zhao, Stefano Sanvito and Shimin Hou

J. Chem. Phys. 132, 054703 (2010)

2010

pubPapers

Electronic transport at the nanoscale: Theoretical and computational aspects

Alexandre Reily Rocha and Stefano Sanvito

LAP Lambert Academic Publishing

2010

pubBooks

Electronic Transport Properties of 1,1′-Ferrocene Dicarboxylic Acid Linked to Al(111) Electrodes

Cristian Morari, Ivan Rungger, Alexandre R. Rocha, Stefano Sanvito, Sorin Melinte and Gian-Marco Rignanese

ACS Nano 3 (12), 4137 (2009)

2009

pubPapers

Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons

X. H. Zheng, I. Rungger Z. Zeng and S. Sanvito

Phys. Rev. B 80, 235426 (2009)

2009

pubPapers

MgN: A possible material for spintronic applications

A. Droghetti, N. Baadji and S. Sanvito

Phys. Rev. B 80, 235310 (2009)

2009

pubPapers

Electron transport across electrically switchable magnetic molecules

Sujeet K. Shukla and Stefano Sanvito

Phys. Rev. B 80, 184429 (2009)

2009

pubPapers

Electrostatic spin crossover effect in polar magnetic molecules

Nadjib Baadji, Manuel Piacenza, Tugba Tugsuz, Fabio Della Sala, Giuseppe Maruccio and Stefano Sanvito

Nature Materials 8, 813 (2009)

2009

pubPapers

Ab initio calculation of the bias-dependent transport properties of Mn12 molecules

C. D. Pemmaraju, I. Rungger, and S. Sanvito

Phys. Rev. B 80, 104422 (2009)

2009

pubPapers

A spin of their own

Greg Szulczewski, Stefano Sanvito and Michael Coey

Nature Materials 8, 693 (2009)

2009

pubPapers

Effects of spin-orbit coupling on the conductance of molecules contacted with gold electrodes

Ruoxing Zhang, Guohui Ma, Rui Li, Zekan Qian, Ziyong Shen, Xingyu Zhao, Shimin Hou and Stefano Sanvito

J. Phys.: Condens. Matter 21, 335301 (2009)

2009

pubPapers

Switching a Single Spin on Metal Surfaces by a STM Tip: Ab Initio Studies

Kun Tao, V.S. Stepanyuk, W. Hergert, I. Rungger, S. Sanvito, and P. Bruno

Phys. Rev. Lett. 103, 057202 (2009)

2009

pubPapers

Interface and transport properties of Fe/V/MgO/Fe and Fe/V/Fe/MgO/Fe magnetic tunneling junctions

Xiaobing Feng, O. Bengone, M. Alouani, I. Rungger and S. Sanvito

Phys. Rev. B 79, 214432 (2009)

2009

pubPapers

Electron doping and magnetic moment formation in N- and C-doped MgO

A. Droghetti and S. Sanvito

Appl. Phys. Lett. 94, 252505 (2009)

2009

pubPapers

Electronic transport calculations for rough interfaces in Al, Cu, Ag, and Au

M.M. Fadlallah, C Schuster, U Schwingenschlögl, T Wunderlich and S Sanvito

J. Phys.: Condens. Matter 21, 315001 (2009)

2009

pubPapers

Simulating STM transport in alkanes from first principles

C. Toher, I. Rungger and S. Sanvito

Phys. Rev. B 79, 205427 (2009)

2009

pubPapers

Comment on “Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO”

Stefano Sanvito and C.D. Pemmaraju

Phys. Rev. Lett., 102, 159701, (2009)

2009

pubPapers

Resonant electronic states and I-V curves of Fe/MgO/Fe(100) tunnel junctions

I. Rungger, O. Mryasov, and S. Sanvito

Phys. Rev. B, 79, 094414, (2009)

2009

pubPapers

Effects of structural relaxation on calculations of the interface and transport properties of Fe/MgO(001) tunnel junctions

Xiaobing Feng, O. Bengone, M. Alouani, S. Lebègue, I. Rungger and S. Sanvito

Phys. Rev. B 79, 174414 (2009)

2009

pubPapers

Exploring the limits of the self consistent Born approximation for inelastic electronic transport

W. Lee, N. Jean, and S. Sanvito

Phys. Rev. B, 79, 085120, (2009)

2009

pubPapers

Nonequilibrium Green’s function study of Pd4 -cluster-functionalized carbon nanotubes as hydrogen sensors

C. Cao, A. F. Kemper, L. Agapito, J.-W. Zhang, Y. He, A. Rinzler, H.-P. Cheng, X.-G. Zhang, A.R. Rocha, and Stefano Sanvito

Phys. Rev. B, 79, 075127, (2009)

2009

pubPapers

Defect-related origin of the ferromagnetism in ZnO:Co

R. Hanafin, C.D. Pemmaraju, T. Archer, and S. Sanvito

Acta Physica Polonica A, 115, 263, (2009)

2009

pubPapers

Atomistic Spin Dynamics

M. Stamenova and S. Sanvito

Oxford University Press, Oxford, 2009

2009

pubBooks

Atomistic Simulations of spin dynamics

Maria Stamenova

PhD Thesis, University of Dublin, 2009

2009

pubThesis

Monte Carlo study of dilute magnetic semiconductors

Ruairi Hanafin

PhD Thesis, University of Dublin, 2009

2009

pubThesis

Efficient ab intio method for inelastic transport in nanoscale devices: Analysis of inelastic electron tunneling spectroscopy

Hisao Nakamura, Koich Yamashita, Alexandre. R. Rocha, and Stefano Sanvito

Phys. Rev. B 78, 235420 (2008)

2008

pubPapers

Predicting d0 magnetism

Andrea Droghetti, C.D. Pemmaraju, and Stefano Sanvito

Phys. Rev. B, 78, 140404(R), (2008)

2008

pubPapers

Electronic properties of bulk and thin film SrRuO3: a search for the metal-insulator transition

J.M. Rondinelli, N.M. Caffrey, S. Sanvito, and N.A. Spaldin

Phys. Rev. B, 78, 155107, (2008)

2008

pubPapers

Impurity-Ion pair induced high-temperature ferromagnetism in Co-doped ZnO

Chaitanya Das Pemmaraju, R. Hanafin, T. Archer, B.H. Braun, and S. Sanvito

Phys. Rev. B, 78, 054428, (2008)

2008

pubPapers

Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition

I. Rungger and S. Sanvito

Phys. Rev. B, 78, 035407, (2008)

2008

pubPapers

Magnetism of CoO polymorphs

T. Archer, R. Hanafin, and S. Sanvito.

Phys. Rev. B, 78, 014431, (2008)

2008

pubPapers

Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions

C. Toher and S. Sanvito

Phys. Rev. B, 77, 155402, (2008)

2008

pubPapers

Polarizability of molecular chains: A self-interaction correction approach

Chaitanya Das Pemmaraju, S. Sanvito, and K. Burke

Phys. Rev. B, 77, 121204(R), (2008)

2008

pubPapers

Newtonian origin of the spin motive force in ferromagnetic atomic wires

M. Stamenova, T.N. Todorov, and S. Sanvito

Phys. Rev. B, 77, 054439, (2008)

2008

pubPapers

Efficient ab initio method for inelastic transport in nanoscale devices: Analysis of inelastic electron tunneling spectroscopy

Hisao Nakamura, Koichi Yamashita, Alexandre. R. Rocha, and Stefano Sanvito

Phys. Rev. B, 78, 235420, (2008)

2008

pubPapers

High transmission in ruthenium-benzene-ruthenium molecular junctions

Shimin Hou, Yanqing Chen, Xin Shen, Rui Li, Jing Ning, Zekan Qian, and Stefano Sanvito

Chem. Phys., 354, 106, (2008)

2008

pubPapers

Novel One-Dimensional Organometallic Half Metals: Vanadium- Cyclopentadienyl, Vanadium-Cyclopentadienyl-Benzene, and Vanadium- Anthracene Wires

Lu Wang, Zixing Cai, Junyu Wang, Jing Lu, Guangfu Luo, Lin Lai, Jing Zhou, Rui Qin, Zhengxiang Gao, Dapeng Yu, Guangping Li, Wai Ning Mei, and Stefano Sanvito

Nano Letters, 8, 3640, (2008)

2008

pubPapers

Conceptual molecular quantum phase transistor based on first-principles quantum transport calculations

Zekan Qian, Rui Li, Xingyu Zhao, Shimin Hou, and Stefano Sanvito

Phys. Rev. B, 78, 113301, (2008)

2008

pubPapers

Energy alignment induced negative differential resistance: The role of hybrid states in aromatic molecular devices

Wei Fan, R.Q. Zhang, A. Reily Rocha, and Stefano Sanvito

J. Chem. Phys., 129, 074710, (2008)

2008

pubPapers

I-V curves of Fe/MgO (001) single- and double-barrier tunnel junctions

J. Peralta-Ramos, A. M. Llois, I. Rungger, and S. Sanvito

Phys. Rev. B, 78, 024430, (2008)

2008

pubPapers

The difference of the transport properties of graphene with corrugation structure and with flat structure

G. Q. Li, J. Cai, J. K. Deng, A. R. Rocha, and S. Sanvito

Appl. Phys. Lett., 92, 163104, (2008)

2008

pubPapers

Functionalized nanopore-embedded electrodes for rapid DNA sequencing

H.H. Ralph, H. Scheicher, R. Pandey, A.R. Rocha, S. Sanvito, A. Grigoriev, R. Ahuja, and S.P. Karna

J. Phys. Chem. C, 112, 3456, (2008)

2008

pubPapers

Exploring the limit of the self-consistent Born approximation to describe electron phonon coupling

William Rodgers-Lee

MSc Thesis, University of Dublin, 2008

2008

pubThesis

Electron Transport in molecular devices

Cormac Toher

PhD Thesis, University of Dublin, 2008

2008

pubThesis

Spintronics goes plastic

S. Sanvito

Nature Materials (News & Views), 6, 803, (2007)

2007

pubPapers

Injecting and controlling spins in organic materials

S. Sanvito

J. Mater. Chem. (Highlight), 17, 4455, (2007)

2007

pubPapers

Search for magnetoresistance in excess of 1000% in Ni point contacts: Density functional calculations

A. R. Rocha, T. Archer, and S. Sanvito

Phys. Rev. B, 76, 054435, (2007)

2007

pubPapers

Efficient atomic self-interaction scheme for non-equilibrium transport

C. Toher and S. Sanvito

Phys. Rev. Lett., 99, 056801, (2007)

2007

pubPapers

Exchange parameters from approximate self-interaction correction scheme

A. Akande and S. Sanvito

J. Chem. Phys., 127, 034112, (2007)

2007

pubPapers

Resonant magnetoresistance in organic spin-valves

A.R. Rocha and S. Sanvito

J. Appl. Phys., 101, 09B102, (2007)

2007

pubPapers

Memoirs of a spin

S. Sanvito

Nature Nanotechnology (News & Views), 2, 204, (2007)

2007

pubPapers

Observation of van der Waals driven self-assembly of MoSI nanowires into a low symmetry structure using aberration corrected electron microscopy

V. Nicolosi, P.D. Nellist, S. Sanvito, E.C. Cosgriff, S. Krishnamurthy, W.J. Blau, M.L.H. Green, D. Vengust, D. Dvorsek, D. Mihailovic, G. Compagnini, J. Sloan, V. Stolojan, J.D. Carey, S.J. Pennycook, and J.N. Coleman

Adv. Mater., 19, 543, (2007)

2007

pubPapers

Giant Magnetoresistance of Nickel-contacted Carbon Nanotubes

S. Athanasopoulos, S. W. Bailey, J. Ferrer, V. M. Garcia Su´arez, C. J. Lambert, A. R. Rocha, and S. Sanvito

J. Phys. Condens. Matter., 19, 042201, (2007)

2007

pubPapers

Atomic-orbitalbased approximate self-interaction correction scheme for molecules and solids

C. Das Pemmaraju, T. Archer, D. S´anchez-Portal, and S. Sanvito

Phys. Rev. B, 75, 045101, (2007)

2007

pubPapers

Investigation of n-type donor defects in Co doped ZnO

C. Das Pemmaraju, T. Archer, R. Hanafin, and S. Sanvito

J. Magn. Magn. Mater., 316, e185, (2007)

2007

pubPapers

Monte Carlo simulations of donor band exchange in (Zn,Co)O

R. Hanafin and S. Sanvito

J. Magn. Magn. Mater., 316, 218, (2007)

2007

pubPapers

Electronic Transport through Fe/MgO/Fe(100) Tunnel Junctions

Rungger, A.R. Rocha, O. Mryasov, O. Heinonen, and S. Sanvito

J. Magn. Magn. Mater., 316, 481, (2007)

2007

pubPapers

Magnetic properties of ZrO2 diluted magnetic semiconductors

T. Archer, C. Das Pemmaraju, and S. Sanvito

J. Magn. Magn. Mater., 316, e188, (2007)

2007

pubPapers

Structure-related effects on the domain wall migration in atomic point contacts

M. Stamenova, S. Sahoo, T.N. Todorov, and Stefano Sanvito

J. Magn. Magn. Mater., 316, e934, (2007)

2007

pubPapers

An efficient NEGF+DFT approach for calculating electron transport properties of molecular devices with quasi-one dimensional electrodes

Z. Qian, R. Li, S. Hou, Z. Xue, and S. Sanvito

J. Chem. Phys., 127, 194710, (2007)

2007

pubPapers

Effect of the continuity of the _-conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions

Jing Ning, Zekan Qian, Rui Li, Shimin Hou, A. R. Rocha, and S. Sanvito

J. Chem. Phys., 126, 174706, (2007)

2007

pubPapers

First-principles calculation on the zero-bias conductance of a gold/1,4-diaminobenzene/gold molecular junction

Jing Ning, Rui Li, Zekan Qian, Shimin Hou, A. R. Rocha, and S. Sanvito

Nanotechnology, 18, 345203, (2007).

2007

pubPapers

Theoretical and computational aspects of electronic transport at the nanoscale

Alexandre Reily Rocha

PhD Thesis, University of Dublin, 2007

2007

pubThesis

Implementation of self-interaction free density functional theory methods and applications to dilute magnetic semiconductors

Sri Chaitanya Das PEmmaraju

PhD Thesis, University of Dublin, 2007

2007

pubThesis

On-site approximation for spin-orbit interaction in DFT

L. Fern´andez Seivane, M.A. Oliveira, S. Sanvito, and J. Ferrer

J. Phys.: Condens. Matter, 18, 7999, (2006)

2006

pubPapers

Ab initio study on the magnetostructural properties of MnAs

I. Rungger and S. Sanvito

Phys. Rev. B, 74, 024429, (2006)

2006

pubPapers

Molecular-Spintronics: the art of driving spin through molecules

S. Sanvito and A.R. Rocha

J. Comput. Theor. Nanosci., 3, 624, (2006)

2006

pubPapers

Magnetization of electrodeposited nickel: Role of interstitial carbon

C. O’Reilly, S. Sanvito, F.M.F. Rhen, P. Stamenov, and J.M.D. Coey

J. Appl. Phys., 99, 08J301, (2006)

2006

pubPapers

Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?

C. S´anchez, M. Stamenova, S. Sanvito, D.R. Bowler, A.P. Horsfield, and T. Todorov

J. Chem. Phys., 124, 214708, (2006)

2006

pubPapers

Magnetomechanical interplay in spin-polarized point contacts

M. Stamenova, S. Sahoo, C. G. S´anchez, T. N. Todorov, and S. Sanvito

Phys. Rev. B, 73, 094439, (2006)

2006

pubPapers

Inelastic transport in molecular spin valves

N. Jean and S.Sanvito

Phys. Rev. B, 73, 094433, (2006)

2006

pubPapers

Spin and Molecular Electronics in Atomically-Generated Orbital Landscapes

A.R. Rocha, V.M. Garcia Suarez, S.W. Bailey, C.J. Lambert, J. Ferrer, and S. Sanvito

Phys. Rev. B, 73, 085414, (2006)

2006

pubPapers

Bias Dependent TMR in Fe/MgO/Fe(100) Tunnel Junctions

I. Rungger, A.R. Rocha, O. Mryasov, O. Heinonen, and S Sanvito

MRS Proceedings, 941E, 0941–Q01–03, (2006)

2006

pubPapers

First Principles Study of the Phase Transitions of MnAs

I. Rungger and S. Sanvito

MRS Proceedings, 941E, 0941–Q08–17, (2006)

2006

pubPapers

Conductance oscillations in zigzag platinum chains - suppression of parity effects

V.M. Garc´ıa-Su´arez, A.R. Rocha, S.W. Bailey, C.J. Lambert, S. Sanvito, and J. Ferrer

Phys. Rev. Lett., 95, 256804, (2005)

2005

pubPapers

Self-interaction errors in density

C. Toher, A. Filippetti, S. Sanvito, and K. Burke

functional calculations of electronic transport. Phys. Rev. Lett., 95, 146402, (2005).

2005

pubPapers

Current-driven magnetic rearrangements in spin-polarized point contacts

M. Stamenova, S. Sanvito, and T. Todorov

Phys. Rev. B, 72, 134407, (2005)

2005

pubPapers

Lattice distortion effects on the magneto-structural phase transition of MnAs

F. Iikawa, M.J.S.P.Brasil, C. Adriano, O.D.D. Couto, C. Giles, P.V. Santos, L.Daerwitz, I. Rungger, and S. Sanvito

Phys. Rev. Lett., 95, 077203, (2005)

2005

pubPapers

HfO2: a new direction for intrinsic defect driven ferromagnetism

C. Das Pemmaraju and S. Sanvito

Phys. Rev. Lett., 94, 217205, (2005). (Ferromagnetism Driven by Intrinsic Point Defects in HfO2)

2005

pubPapers

Single-channel conductance of H2 molecules attached to platinum or palladium electrodes

V.M. Garc´ıa-Su´arez, A.R. Rocha, S.W. Bailey, C.J. Lambert, S. Sanvito, and J. Ferrer

Phys. Rev. B, 72, 045437, (2005)

2005

pubPapers

Towards molecular spintronics

A.R. Rocha, V.M. Garcia Suarez, S.W. Bailey, C.J. Lambert, J. Ferrer, and S. Sanvito

Nature Materials, 4, 335, (2005)

2005

pubPapers

Material-specific spin filtering in ferromagnet/superconductor ballistic nanojunctions

F. Taddei, S. Sanvito, and C. J. Lambert

J. Comput. Theor. Nanosci., 2, 132,(2005)

2005

pubPapers

Magnetic proximity effect in carbon nanotubes

M. S. Ferreira and S. Sanvito

J. Magn. Magn. Mater., 290-291, 286, (2005)

2005

pubPapers

Strong correlation and ferromagnetism in (Ga,Mn)As and (Ga,Mn)N

A. Filippetti, N. A. Spaldin, and S. Sanvito

J. Magn. Magn. Mater., 290-291, 1391, (2005)

2005

pubPapers

Inelastic Transport in atomic Spin-Valves

Nicola Jean

MSc Thesis, University of Dublin, 2005

2005

pubThesis

The magnetism of Carbon

J.M.D. Coey and S. Sanvito

Physics World, November, (2004)

2004

pubPapers

Asymmetric I-V characteristics and magnetoresistance in magnetic point contacts

A. R. Rocha and S. Sanvito

Phys. Rev. B, 70, 094406, (2004)

2004

pubPapers

Different origin of the ferromagnetic order in (Ga,Mn)As and (Ga,Mn)N

M. Wierzbowska, D. S´anchez-Portal, and S. Sanvito

Phys. Rev. B, 70, 235209, (2004)

2004

pubPapers

Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N

A. Filippetti, N. A. Spaldin, and S. Sanvito

Chem. Phys., 309, 59, (2004)

2004

pubPapers

Contact induced magnetism in carbon nanotubes

O. C´espedes, M. S. Ferreira, S. Sanvito, M. Kociak, and J. M. D. Coey

J. Phys.: Condens. Matter, 16, L155, (2004)

2004

pubPapers

Magnetic Semiconductors and half-metals

J. M. D. Coey and S. Sanvito

J. Phys. D: Appl. Phys., 37, 988, (2004)

2004

pubPapers

Contact-induced spin polarization in carbon nanotubes

M. S. Ferreira and S. Sanvito

Phys. Rev. B, 69, 035407, (2004)

2004

pubPapers

(Ga,Mn)As/AlAs digital ferromagnetic heterostructures

Stefano Sanvito

J. Magn. Magn. Matter, 272-276, e1583, (2004)

2004

pubPapers

I-V asymmetry and magnetoresistance in nickel nanoconstrictions

O. C´espedes, A. R. Rocha S. Lioret, M. Viret, C. Dennis, J. F. Gregg, S. van Dijken, S. Sanvito, and J. M. D. Coey

J. Magn. Magn. Matter, 272-276, 1571, (2004)

2004

pubPapers

Computational Spintronics in highly confined systems, volume 42-46 of Advances in Science and Technology

S. Sanvito and A. R. Rocha

Techna Group Publishers, Faenza (Italy), 2004

2004

pubBooks

Ab initio methods for spin transport at nanoscale level. in “Handbook of Computational Nanotechnology”

S. Sanvito

American Scientific Publishers, Stevenson Ranch, California, 2004

2004

pubBooks

Ferromagnetism and metallic state in digital (Ga,Mn)As heterostructures

S. Sanvito

Phys. Rev. B, 68, 054425, (2003)

2003

pubPapers

Influence of quantum confinement on the ferromagnetism of (Ga,Mn)As diluted magnetic semiconductor

S. Sapra, D. D. Sarma, S. Sanvito, and Nicola A. Hill

Nano Letters, 2, 605, (2002)

2002

pubPapers

Density Functional Calculations for III-V Diluted Ferromagnetic Semiconductors: A Review

S. Sanvito, G. J. Theurich, and Nicola A. Hill

J. of Superconductivity and Novel Magnetism, 15, 85, (2002)

2002

pubPapers

First principle study of intrinsic defects in (Ga,Mn)As

S. Sanvito and Nicola A. Hill

J. Magn. Magn. Mater., 242-245, 411, (2002)

2002

pubPapers

Prediction of enhanced ferromagnetism in (Ga,Mn)As by intrinsic defect manipulation

S. Sanvito and Nicola A. Hill

J. Magn. Magn. Mater., 238, 252, (2002)

2002

pubPapers

Ab initio transport theory for digital ferromagnetic heterostructures

S. Sanvito and Nicola A. Hill

Phys. Rev. Lett., 87, 267202, (2001)

2001

pubPapers

Spin polarized transport in F/S nanojunctions

F. Taddei, S. Sanvito, and C. J. Lambert

J. Low. Temp. Phys., 124, 305, (2001)

2001

pubPapers

Influence of the local As antisite distribution on ferromagnetism in (Ga,Mn)As

S. Sanvito and Nicola A. Hill

Appl. Phys. Lett., 78, 3493, (2001)

2001

pubPapers

First Principle study of the origin and nature of ferromagnetism in (Ga,Mn)As

S. Sanvito, P.Ordej´on, and N. A. Hill

Phys. Rev. B, 63, 165206, (2001)

2001

pubPapers

Enhancement of GMR due to spin-mixing in magnetic multilayers with a superconducting contact

F. Taddei, S. Sanvito, and C. J. Lambert

Phys. Rev. B, 63, 12404, (2001)

2001

pubPapers

Ground state of half-metallic zincblende MnAs

S. Sanvito and Nicola A. Hill

Phys. Rev. B, 62, 15553, (2000)

2000

pubPapers

Fractional quantum conductance in carbon nanotubes

S. Sanvito, Y.-K. Kwon, D. Tom´anek, and C.J. Lambert

Phys. Rev. Lett., 84, 1974, (2000)

2000

pubPapers

Breakdown of the resistor model of CPP-GMR in magnetic multilayered nanostructures

S. Sanvito, C. J. Lambert, and J. H. Jefferson

Phys. Rev. B, 61, 14225, (2000)

2000

pubPapers

Anomalous magnetoresistance of magnetic multilayers

R. Seviour, S. Sanvito, C. J. Lambert, and J. H. Jefferson

J. Phys.: Cond. Matter, 12, L621, (2000)

2000

pubPapers

Quantum transport in inhomogeneous multi-wall nanotubes

S. Sanvito, Y.-K. Kwon, D. Tom´anek, and C.J. Lambert

in “Science and Application of Nanotubes”. Kluwer Academic Publishing/Plenum Press, eds. D. Tom´anek, R.J. Enbody, New York, 2000

2000

pubBooks

Crossover between ballistic and diffusive regime of the spin-conductance and CPP-GMR in magnetic multilayered nanostructures

S. Sanvito, C. J. Lambert, and J. H. Jefferson

Phys. Rev. B, 60, 7385, (1999)

1999

pubPapers

Suppression of Giant Magnetoresistance by a superconducting contact

F. Taddei, S. Sanvito, C. J. Lambert, and J. H. Jefferson

Phys. Rev. Lett., 82, 4938, (1999)

1999

pubPapers

General Green’s function formalism for transport calculations with spd-Hamiltonians and giant magnetoresistance in Co and Ni based magnetic multilayers

S. Sanvito, C. J. Lambert, J. H. Jefferson, and A.M. Bratkovsky

Phys. Rev. B, 59, 11936, (1999)

1999

pubPapers

Systematic study of ballistic GMR in magnetic multilayers through the 3d, 4d and 5d transition metals

S. Sanvito, C. J. Lambert, and J. H. Jefferson

J. Magn. Magn. Mater., 203/1-3, 105, (1999)

1999

pubPapers

GMR in 3d, 4d and 5d transition metal multilayers

S. Sanvito, C. J. Lambert, and J. H. Jefferson

J. Magn. Magn. Mater., 196-197, 101, (1999)

1999

pubPapers

Conductance Oscillations in transition metal superlattices

S. Sanvito, C. J. Lambert, J. H. Jefferson, and A.M. Bratkovsky

J. Phys.: Cond. Matter, 10, L691, (1998).

1998

pubPapers

A Further Look at Waveguide Lasers

E. Del Giudice, R. Mele, G. Preparata, S. Sanvito, and F. Fontana

IEEE J. Quant. Elect., 34, 2403, (1998)

1998

pubPapers