Research Group: Computational Materials Science (CMS)

Article

Setten van, Michiel J. and Wijs de, Gilles A. and Fichtner, Maximilian and Brocks, Geert (2008) A Density Functional Study of α-Mg(BH4)2. Chemistry of Materials, 20 (15). pp. 4952-4956. ISSN 0897-4756

Horst van der, J.-W. and Bobbert, P.A. and Michels, M.A.J. and Brocks, G. and Kelly, P.J. (1999) Ab Initio Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening. Physical Review Letters, 83 (21). pp. 4413-4416. ISSN 0031-9007

Xu, P.X. and Xia, K. (2006) Ab initio calculations of the alloy resistivities of lattice-matched and lattice-mismatched metal pairs: Influence of local-impurity-induced distortions. Physical Review B: Condensed matter and materials physics, 74 (18). p. 184206. ISSN 1098-0121

Giovannetti, Gianluca and Brocks, Geert and Brink van den, Jeroen (2008) Ab initio electronic structure and correlations in pristine and potassium-doped molecular crystals of copper phthalocyanine. Physical Review B: Condensed matter and materials physics, 77 (3). 035133. ISSN 1098-0121

Setten van, M.J. and Wijs de, G.A. and Popa, V.A. and Brocks, G. (2005) Ab initio study of Mg(AlH4)2. Physical Review B: Condensed matter and materials physics, 72 . 073107-1. ISSN 1098-0121

Setten van, Michiel J. and Wijs de, Gilles A. and Brocks, Geert (2007) Ab initio study of the effects of transition metal doping of Mg2NiH4. Physical Review B: Condensed matter and materials physics, 76 (7). 075125. ISSN 1098-0121

Dahmoune, C. and Lounis, S. and Talanana, M. and Benakki, M. and Bouarab, S. and Demangeat, C. (2002) Ab initio study of the magnetic configurations on the (0 0 1) surfaces of binary FePd and FeRh ordered alloys. Journal of Magnetism and Magnetic Materials, 240 (1-3). pp. 368-370. ISSN 0304-8853

Horst van der, J.-W. and Bobbert, P.A. and Michels, M.A.J. and Brocks, G. and Kelly, P.J. (1999) Ab-initio calculation of quasi-particle bandstructure, exciton binding energies and dielectric properties of polythiophene. Synthetic Metals, 101 (1-3). pp. 333-334. ISSN 0379-6779

Khomskii, Daniel and Brink van den, Jeroen (2000) Anharmonic Effects on Charge and Orbital Order [A Comment on the Letter by Tetsuya Mutou and Hiroushi Kontani, Phys. Rev. Lett. 83, 3685 (1999)]. Physical Review Letters, 85 (15). p. 3329. ISSN 0031-9007

Valkering, T.P. and Caspers, W.J. (1974) Asymptotic equality of the isolated and the adiabatic susceptibility. Physica, 78 (3). pp. 516-526. ISSN 0031-8914

Tromp, H.J. and Gelderen van, P. and Kelly, P.J. and Brocks, G. and Bobbert, P.A. (2001) CaB6: A New Semiconducting Material for Spin Electronics. Physical Review Letters, 87 (1). 016401. ISSN 0031-9007

Zwierzycki, M. and Khomyakov, P.A. and Starikov, A.A. and Xia, K. and Talanana, M. and Xu, P.X. and Karpan, V.M. and Marushchenko, I. and Turek, I. and Bauer, E.W. and Brocks, G. and Kelly, P.J. (2010) Calculating scattering matrices by wave function matching. Physica Status Solidi B: Basic research, 245 (4). pp. 623-640. ISSN 0370-1972

Aran, H.C. and Pacheco Benito, S. and Luiten-Olieman, M.W.J. and Er, S. and Wessling, M. and Lefferts, L. and Benes, N.E. and Lammertink, R.G.H. (2011) Carbon nanofibers in catalytic membrane microreactors. Journal of Membrane Science, 381 (1-2). 244 - 250. ISSN 0376-7388

Valkering, Theo P. and Irman, Arie (2004) Chaos near the gap soliton in a Kerr grating. Physical Review E: Statistical, nonlinear, and soft matter physics, 70 (3). 036610. ISSN 1539-3755

Kumar, Sanjeev and Brink van den, Jeroen (2008) Charge ordering and magnetism in quarter-filled Hubbard-Holstein model. Physical Review B: Condensed matter and materials physics, 78 (15). p. 155123. ISSN 1098-0121

Khomyakov, P.A. and Brocks, G. and Karpan, V.M. and Zwierzycki, M. and Kelly, P.J. (2005) Conductance calculations for quantum wires and interfaces: Mode matching and Green's functions. Physical Review B: Condensed matter and materials physics, 72 (3). 035450. ISSN 1098-0121

Krompiewski, S. and Zwierzycki, M. (2002) Conductance of atomic-scale metallic contacts with controllable interface hopping integrals. Journal of Magnetism and Magnetic Materials, 240 (1-3). pp. 209-211. ISSN 0304-8853

Er, Süleyman and Wijs de, Gilles A. and Brocks, Geert (2009) DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage. Journal of Physical Chemistry C: Nanomaterials and interfaces, 113 (43). pp. 18962-18967. ISSN 1932-7447

Rusu, Paul C. and Giovannetti, Gianluca and Brocks, Geert (2007) Dipole Formation at Interfaces of Alkanethiolate Self-assembled Monolayers and Ag(111). Journal of Physical Chemistry C: Nanomaterials and interfaces, 111 (39). pp. 14448-14456. ISSN 1932-7447

Kumar, Sanjeev and Kampf, Arno P. (2008) Disorder-induced orbital ordering in doped manganites. Physical Review B: Condensed matter and materials physics, 77 (13). p. 134442. ISSN 1098-0121

Giovannetti, G. and Khomyakov, P.A. and Brocks, G. and Karpan, V.M. and Brink van den, J. and Kelly, P.J. (2008) Doping Graphene with Metal Contacts. Physical Review Letters, 101 (2). 026803. ISSN 0031-9007

Bauer, Gerrit E.W. and Brataas, Arne and Tserkovnyak, Yaroslav and Halperin, Betrand I. and Zwierzycki, Maciej and Kelly, Paul J. (2004) Dynamic ferromagnetic proximity effect in photoexcited semiconductors. Physical Review Letters, 92 (12). p. 126601. ISSN 0031-9007

Giovannetti, Gianluca and Brink van den, Jeroen (2008) Electronic Correlations Decimate the Ferroelectric Polarization of Multiferroic HoMn2O5. Physical Review Letters, 100 (22). p. 227603. ISSN 0031-9007

Brocks, Geert and Brink van den, Jeroen and Morpurgo, Alberto F. (2004) Electronic correlations in oligo-acene and -thiopene organic molecular crystals. Physical Review Letters, 93 (14). p. 146405. ISSN 0031-9007

Brink van den, Jeroen and Brocks, Geert and Morpurgo, Alberto F. (2005) Electronic correlations in oligo-thiophene molecular crystals. Journal of Magnetism and Magnetic Materials, 290-29 (Part 1). pp. 294-297. ISSN 0304-8853

Setten van, M.J. and Popa, V.A. and Wijs de, G.A. and Brocks, G. (2007) Electronic structure and optical properties of lightweight metal hydrides. Physical Review B: Condensed matter and materials physics, 75 (3). 035204. ISSN 1098-0121

Brocks, Geert and Tol, Arie (1999) Electronic structure of heterocyclic ring chain polymers. Synthetic Metals, 101 (1-3). pp. 516-517. ISSN 0379-6779

Zhong, Zhi-Cheng and Kelly, Paul J. (2008) Electronic-structure-induced reconstruction and magnetic ordering at the LaAlO3|SrTiO3 interface. Europhysics Letters, 84 (2). p. 27001. ISSN 0295-5075

Liu, Jun-Feng and Zhong, Zhi-Cheng and Chen, Lei and Li, Dingping and Zhang, Chao and Ma, Zhongshui (2007) Enhancement of polarization in a spin-orbit coupling quantum wire with a constriction. Physical Review B: Condensed matter and materials physics, 76 (19). p. 195304. ISSN 1098-0121

Craciun, Monica F. and Giovannetti, Gianluca and Rogge, Sven and Brocks, Geert and Morpurgo, Alberto F. and Brink van den, Jeroen (2009) Evidence for the formation of a Mott state in potassium-intercalated pentacene. Physical Review B: Condensed matter and materials physics, 79 (15). p. 155116. ISSN 1098-0121

Horst van der, J.-W. and Bobbert, P.A. and Pasveer, W.F. and Michels, M.A.J. and Brocks, G. and Kelly, P.J. (2002) Excitons in conjugated polymers from first principles. Computer Physics Communications, 147 (1-2). pp. 331-334. ISSN 0010-4655

Er, Süleyman and Setten van, Michiel J. and Wijs de, Gilles A. and Brocks, Geert (2010) First principles modelling of magnesium titanium hydrides. Journal of physics: Condensed matter, 22 (7). 074208. ISSN 0953-8984

Hazrati, E. and Brocks, G. and Wijs de, G.A. (2012) First-Principles Study of LiBH4 Nanoclusters and Their Hydrogen Storage Properties. Journal of physical chemistry C, 116 . 18038 - 18047. ISSN 1932-7447

Setten van, Michiel J. and Wijs de, Gilles A. and Brocks, Geert (2008) First-principles calculations of the crystal structure, electronic structure, and thermodynamic stability of Be(BH4)2. Physical Review B: Condensed matter and materials physics, 77 (16). p. 165115. ISSN 1098-0121

Xia, K. and Zwierzycki, M. and Talanana, M. and Bauer, G.E.W. and Kelly, P.J. (2006) First-principles scattering matrices for spin transport. Physical Review B: Condensed matter and materials physics, 73 (6). 064420. ISSN 1098-0121

Zwierzycki, Maciej and Tserkovnyak, Yaroslav and Kelly, Paul J. and Brataas, Arne and Bauer, Gerrit E.W. (2005) First-principles study of magnetization relaxation enhancement and spin transfer in thin magnetic films. Physical Review B: Condensed matter and materials physics, 71 (6). 064420. ISSN 1098-0121

Khomyakov, P.A. and Giovannetti, G. and Rusu, P.. and Brocks, G. and Brink van den, J. and Kelly, P.J. (2009) First-principles study of the interaction and charge transfer between graphene and metals. Physical Review B: Condensed matter and materials physics, 79 (19). p. 195425. ISSN 1098-0121

Setten van, Michiel J. and Er, Süleyman and Brocks, Geert and Groot de, Robert A. and Wijs de, Gilles A. (2009) First-principles study of the optical properties of MgxTi1-xH2. Physical Review B: Condensed matter and materials physics, 79 (12). p. 125117. ISSN 1098-0121

Vanpoucke, Danny E.P. and Brocks, Geert (2008) Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study. Physical Review B: Condensed matter and materials physics, 77 (24). p. 241308. ISSN 1098-0121

Karpan, V.M. and Giovannetti, G. and Khomyakov, P.A. and Talanana, M. and Starikov, A.A. and Zwierzycki, M. and Brink van den, J. and Brocks, G. and Kelly, P.J. (2007) Graphite and Graphene as Perfect Spin Filters. Physical Review Letters, 99 (17). p. 176602. ISSN 0031-9007

Er, Süleyman and Wijs de, Gilles A. and Brocks, Geert (2009) Hydrogen Storage by Polylithiated Molecules and Nanostructures. Journal of Physical Chemistry C: Nanomaterials and interfaces, 113 (20). pp. 8997-9002. ISSN 1932-7447

Xu, P.X. and Karpan, V.M. and Xia, K. and Zwierzycki, M. and Marushchenko, I. and Kelly, P.J. (2006) Influence of roughness and disorder on tunneling magnetoresistance. Physical Review B: Condensed matter and materials physics, 73 (18). p. 180402. ISSN 1098-0121

Giovannetti, Gianluca and Margadonna, Serena and Brink van den, Jeroen (2008) KCrF3: Electronic structure and magnetic and orbital ordering from first principles. Physical Review B: Condensed matter and materials physics, 77 (7). 075113. ISSN 1098-0121

Giovannetti, Gianluca and Kumar, Sanjeev and Brink van den, Jeroen and Picozzi, Silvia (2009) Magnetically Induced Electronic Ferroelectricity in Half-Doped Manganites. Physical Review Letters, 103 (3). 037601. ISSN 0031-9007

Setten van, Michiel J. and Wijs de, Gilles A. and Brocks, Geert (2007) Model for the Formation Energies of Alanates and Boranates. Journal of Physical Chemistry C: Nanomaterials and interfaces, 111 (26). pp. 9592-9594. ISSN 1932-7447

Cakir, D. and Bokdam, M. and Jong de, M.P. and Fahlman, M. and Brocks, G. (2012) Modeling charge transfer at organic donor-acceptor semiconductor interfaces. Applied physics letters, 100 (20). p. 203302. ISSN 0003-6951

Giovannetti, Gianluca and Kumar, Sanjeev and Brink van den, Jeroen (2008) Mott state and quantum critical points in rare-earth oxypnictides RO1-xFxFeAs (R=La,Sm,Nd,Pr,Ce). Physica B: Condensed matter, 403 (19-20). pp. 3653-3657. ISSN 0921-4526

Bountis, T. and Capel, H.W. and Kollmann, M. and Ross, J.C. and Bergamin, J.M. and Weele van der, J.P. (2000) Multibreathers and homoclinic orbits in 1-dimensional nonlinear lattices. Physics Letters A, 268 (1-2). pp. 50-60. ISSN 0375-9601

Betouras, Joseph J. and Giovannetti, Gianluca and Brink van den, Jeroen (2007) Multiferroicity Induced by Dislocated Spin-Density Waves. Physical Review Letters, 98 (25). p. 257602. ISSN 0031-9007

Giovannetti, Gianluca and Kumar, Sanjeev and Khomskii, Daniel and Picozzi, Silvia and Brink van den, Jeroen (2009) Multiferroicity in Rare-Earth Nickelates RNiO3. Physical Review Letters, 103 (15). p. 156401. ISSN 0031-9007

Giovannetti, Gianluca and Kumar, Sanjeev and Stroppa, Alessandro and Brink van den, Jeroen and Picozzi, Silvia (2009) Multiferroicity in TTF-CA Organic Molecular Crystals Predicted through Ab Initio Calculations. Physical Review Letters, 103 (26). p. 266401. ISSN 0031-9007

Harkema, S. and Hummel van, G.J. and Gaymans, R.J. (1980) N,N'-Tetramethylenedibenzamide (TMDB). Acta Crystallographica Section B: Structural crystallography and crystal chemistry, 36 (12). pp. 3182-3184. ISSN 0567-7408

Brataas, Arne and Bauer, Gerrit E.W. and Kelly, Paul J. (2006) Non-collinear magnetoelectronics. Physics Reports, 427 (4). pp. 157-255. ISSN 0370-1573

Brink van den, J. and Sawatzky, G.A. (2000) Non-conventional screening of the Coulomb interaction in low-dimensional and finite-size systems. Europhysics Letters, 50 (4). pp. 447-453. ISSN 0295-5075

Khomyakov, P.A. and Starikov, A.A. and Brocks, G. and Kelly, P.J. (2010) Nonlinear screening of charges induced in graphene by metal contacts. Physical Review B: Condensed matter and materials physics, 82 (11). p. 115437. ISSN 1098-0121

Valkering, T.P. and Marel van der, L.C. (1970) On the influence of heat conduction on paramagnetic dispersion and absorption curves. Physica, 47 (3). pp. 412-424. ISSN 0031-8914

Valkering, T.P. (1971) On the number of crossings in the spectrum of a hermitian matrix which depends on a real parameter. Physica, 53 (1). pp. 117-124. ISSN 0031-8914

Brink van den, Jeroen (2001) Orbital Excitations in LaMnO3. Physical Review Letters, 87 (21). p. 217202. ISSN 0031-9007

Konstantinovic, M.J. and Brink van den, J. and Popovic, Z.V. and Moshchalkov, V.V. and Isobe, M. and Ueda, Y. (2004) Orbital dimerization in NaTiSi2O6: An orbital analogue of the spin-Peierls phase transition. Physical Review B: Condensed matter and materials physics, 69 (2). 020409. ISSN 1098-0121

Brink van den, Jeroen (2002) Orbiton–phonon coupling in the localized limit. Physica B: Condensed Matter, 312-31 . pp. 743-744. ISSN 0921-4526

Xu, P.X. and Xia, K. and Zwierzycki, M. and Talanana, M. and Kelly, P.J. (2006) Orientation-Dependent Transparency of Metallic Interfaces. Physical Review Letters, 96 (17). p. 176602. ISSN 0031-9007

Valkering, T.P. and Lange de, C. (1980) Overtaking solitons of high energy in a one-dimensional Lennard-Jones chain. Journal of Physics A: Mathematical and general, 13 (5). p. 1607. ISSN 0305-4470

Gelderen van, P. and Bobbert, P.A. and Kelly, P.J. and Brocks, G. (2000) Parameter-Free Quasiparticle Calculations for YH3. Physical Review Letters, 85 (14). pp. 2989-2992. ISSN 0031-9007

Gelderen van, P. and Bobbert, P.A. and Kelly, P.J. and Brocks, G. and Tolboom, R. (2002) Parameter-free calculation of single-particle electronic excitations in YH3. Physical Review B: Condensed matter and materials physics, 66 (7). 075104/1-075104/13. ISSN 1098-0121

Opheusden van, Joost H.J. and Valkering, Theo P. (1989) Period-doubling density waves in a chain. Nonlinearity, 2 (2). p. 357. ISSN 0951-7715

Valkering, T.P. (1978) Periodic permanent waves in an anharmonic chain with nearest-neighbour interaction. Journal of Physics A: Mathematical and general, 11 (10). pp. 1885-1897. ISSN 0305-4470

Brink van den, Jeroen (2000) Photoemission Spectra of LaMnO3 Controlled by Orbital Excitations. Physical Review Letters, 85 (24). pp. 5174-5177. ISSN 0031-9007

Zhong, ZhiCheng and Xu, P.X. and Kelly, Paul J. (2010) Polarity-induced oxygen vacancies at LaAlO3∕SrTiO3 interfaces. Physical Review B: Condensed matter and materials physics, 82 (16). p. 165127. ISSN 1098-0121

Brocks, Geert (1999) Polarons and bipolarons in oligothiophenes: a first principles study. Synthetic Metals, 102 (1-3). pp. 914-915. ISSN 0379-6779

Horst van der, J.-W. and Bobbert, P.A. and Jong, P.H.L. and Michels, M.A.J. and Siebbeles, L.D.A. and Warman, J.M. and Gelinck, G.H. and Brocks, G. (2001) Predicting polarizabilities and lifetimes of excitons on conjugated polymer chains. Chemical Physics Letters, 334 (4-6). pp. 303-308. ISSN 0009-2614

Zhong, Z.C. and Koster, G. and Kelly, P.J. (2012) Prediction of thickness limits of ideal polar ultrathin films. Physical review B: Condensed matter and materials physics, 85 (12). 121411/1 - 121411/4. ISSN 1098-0121

Khomyakov, Petr A. and Brocks, Geert (2004) Real-space finite-difference method for conductance calculations. Physical Review B: Condensed matter and materials physics, 70 (19). p. 195402. ISSN 1098-0121

Caciuffo, R. and Paolasini, L. and Sollier, A. and Ghigna, P. and Pavarini, E. and Brink van den, J. and Altarelli, M. (2002) Resonant x-ray scattering study of magnetic and orbital order in KCuF3. Physical Review B: Condensed matter and materials physics, 65 (17). p. 174425. ISSN 1098-0121

Uiterwijk, J.W.H.M. and Harkema, S. and Hummel van, G.J. and Geevers, J. and Reinhoudt, D.N. (1982) S-tert-Butylthiouronium perchlorate-1,4,7,10,13,16-hexaoxacyclooctadecane (2:1). Acta Crystallographica Section B: Structural crystallography and crystal chemistry, 38 (6). pp. 1862-1864. ISSN 0567-7408

Otalvaro Gutierrez, D.M. and Veening, G.J.T. and Brocks, G. (2012) Self-Assembled Monolayer Induced Au(111) and Ag(111) Reconstructions: Work Functions and Interface Dipole Formation. Journal of physical chemistry C, 116 . 7826 - 7837. ISSN 1932-7447

Bauer, Gerrit E.W. and Nazarov, Yuli V. and Huertas-Hernando, Daniel and Brataas, Arne and Xia, Ke and Kelly, Paul J. (2001) Semiclassical concepts in magnetoelectronics. Materials Science and Engineering B: Solid-state materials for advanced technology, 84 (1-2). pp. 31-36. ISSN 0921-5107

Valkering, Theo P. (2006) Slow light via a tapered grating: transfer matrix approach. Optical and Quantum Electronics, 38 (1-3). pp. 83-96. ISSN 0306-8919

Brinkman, G.J. and Valkering, T.P. (1990) Soliton decay in a Toda chain caused by dissipation. Zeitschrift für Angewandte Mathematik und Physik, 41 (1). pp. 61-78. ISSN 0044-2275

Bauer, Gerrit E.W. and Tserkovnyak, Yaroslav and Brataas, Arne and Ren, Jun and Xia, Ke and Zwierzycki, Maciej and Kelly, Paul J. (2005) Spin accumulation and decay in magnetic Schottky barriers. Physical Review B: Condensed matter and materials physics, 72 (15). p. 155304. ISSN 1098-0121

Zwierzycki, M. and Xia, K. and Kelly, P.J. and Bauer, G.E.W. and Turek, I. (2003) Spin injection through an Fe/InAs interface. Physical Review B: Condensed matter and materials physics, 67 (9). 092401. ISSN 1098-0121

Xia, K. and Kelly, P.J. and Bauer, G.E.W. and Brataas, A. and Turek, I. (2002) Spin torques in ferromagnetic/normal-metal structures. Physical Review B: Condensed matter and materials physics, 65 (22). p. 220401. ISSN 1098-0121

Xia, K. and Kelly, P.J. and Bauer, G.E.W. and Turek, I. (2002) Spin-dependent transparency of ferromagnet/superconductor interfaces. Physical Review Letters, 89 (16). 166603/1-166603/4. ISSN 0031-9007

Yuan, Z. and Liu, Y. and Starikov, A.A. and Kelly, P.J. and Brataas, A. (2012) Spin-orbit-coupling-induced domain-wall resistance in diffusive ferromagnets. Physical review letters, 109 . 267201/1 - 267201/5. ISSN 0031-9007

Kruger, Frank and Kumar, Sanjeev and Zaanen, Jan and Brink van den, Jeroen (2009) Spin-orbital frustrations and anomalous metallic state in iron-pnictide superconductors. Physical Review B: Condensed matter and materials physics, 79 (5). 054504. ISSN 1098-0121

Khomyakov, Petr A. and Brocks, Geert (2006) Stability of conductance oscillations in monatomic sodium wires. Physical Review B: Condensed matter and materials physics, 74 (16). p. 165416. ISSN 1098-0121

Gelderen van, P. and Kelly, P.J. and Brocks, G. (2003) Structural and dynamical properties of YH3. Physical Review B: Condensed matter and materials physics, 68 (9). 094302/1-094392/13. ISSN 1098-0121

Giovannetti, Gianluca and Khomyakov, Petr A. and Brocks, Geert and Kelly, Paul J. and Brink van den, Jeroen (2007) Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations. Physical Review B: Condensed matter and materials physics, 76 (7). 073103. ISSN 1098-0121

Rusu, Paul C. and Brocks, Geert (2006) Surface Dipoles and Work Functions of Alkylthiolates and Fluorinated Alkylthiolates on Au(111). Journal of Physical Chemistry B: Materials, surfaces, interfaces, & biophysical, 110 (45). pp. 22628-22634. ISSN 1520-6106

Valkering, Theo (1984) The construction of one unstable manifold for the dissipative Henon mapping. Journal of Physics A: Mathematical and general, 17 (16). p. 3135. ISSN 0305-4470

Karpan, V.M. and Khomyakov, P.A. and Starikov, A.A. and Giovannetti, G. and Zwierzycki, M. and Talanana, M. and Brocks, G. and Brink van den, J. and Kelly, P.J. (2008) Theoretical prediction of perfect spin filtering at interfaces between close-packed surfaces of Ni or Co and graphite or graphene. Physical Review B: Condensed matter and materials physics, 78 (19). p. 195419. ISSN 1098-0121

Hatami, Moosa and Bauer, Gerrit E.W. and Zhang, Qinfang and Kelly, Paul J. (2007) Thermal Spin-Transfer Torque in Magnetoelectronic Devices. Physical Review Letters, 99 (6). 066603. ISSN 0031-9007

Hatami, Moosa and Bauer, Gerrit E.W. and Zhang, Qinfang and Kelly, Paul J. (2009) Thermoelectric effects in magnetic nanostructures. Physical Review B: Condensed matter and materials physics, 79 (17). p. 174426. ISSN 1098-0121

Er, Süleyman and Tiwari, Dhirendra and Wijs de, Gilles A. and Brocks, Geert (2009) Tunable hydrogen storage in magnesium–transition metal compounds: first-principles calculations. Physical Review B: Condensed matter and materials physics, 79 (2). 024105. ISSN 1098-0121

Rusu, Paul C. and Brocks, Geert (2006) Work functions of self-assembled monolayers on metal surfaces by first-principles calculations. Physical Review B: Condensed matter and materials physics, 74 (7). 073414. ISSN 1098-0121

Book Section

Brataas, A. and Tserkovnyak, Y. and Bauer, G.E.W. and Kelly, P.J. (2012) Spin pumping and spin transfer. In: Spin Current. Oxford University Press, Oxford, 87 - 135. ISBN 9780199600380

Conference or Workshop Item

Kelly, P.J. (2002) Spin injection: materials specific theory. In: IEEE International Magnetics Conference, INTERMAG Europe 2002, 28 April-2 May 2002, Amsterdam, The Netherlands.

Report

Dao, H.L. (2012) First-principles study of CPP GMR in Co/Cu multilayers including substitutional disorder and spin-orbit coupling. [Report]

Thesis

Khomyakov, Petr (2006) Electronic transport through nanowires: a real-space finite-difference approach. thesis.

Er, Süleyman (2009) Hydrogen storage materials : a first-principles study. thesis.

Zhong, Zhicheng (2011) Instability, the driving force for new physical phenomena. thesis.

Karpan, Volodymyr Mykolajovych (2008) Towards perfect spin-filtering : a first-principles study. thesis.