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Publications 2016

Aichhorn, M., Pourovskii, L., Seth, P., Vildosola, V., Zingl, M., Peil, O.E., Deng, X., Mravlje, J., Kraberger, G.J., Martins, C., Ferrero, M., Parcollet, O., 2016. TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials. Computer Physics Communications 204, 200–208. DOI:10.1016/j.cpc.2016.03.014, arXiv:1511.01302, P03

Assmann, E., Wissgott, P., Kuneš, J., Toschi, A., Blaha, P., Held, K., 2016. woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement. Computer Physics Communications 202, 1–11. DOI:10.1016/j.cpc.2015.12.010, arXiv:1507.04881, P03, P07 & P15

Atanelov, J., Mohn, P., 2016. The electronic and magnetic properties of anion doped (C, N, S) GaFeO3; an ab initio DFT study. Comput. Mater. Sci. 117, 380–389. DOI:10.1016/j.commatsci.2016.02.017, OA, P09

Bal, M., Rams, M.M., Zauner, V., Haegeman, J., Verstraete, F., 2016. Matrix product state renormalization. Phys. Rev. B 94, 205122. DOI:10.1103/PhysRevB.94.205122, arXiv:1509.01522, P04

Battiato, M., Held, K., 2016. Ultrafast and Gigantic Spin Injection in Semiconductors. Phys. Rev. Lett. 116. DOI:10.1103/PhysRevLett.116.196601, P03, featured in TU News

Bachleitner-Hofmann, A., Abert, C., Bruckner, F., Palmesi, P., Satz, A., Suess, D., 2016. Unexpected Width of Minor Magnetic Hysteresis Loops in Nanostructures. IEEE Trans. Magn. 52. DOI:10.1109/TMAG.2016.2533166, P12

Bao, W., Tang, Q., Zhang, Y., 2016. Accurate and Efficient Numerical Methods for Computing Ground States and Dynamics of Dipolar Bose-Einstein Condensates via the Nonuniform FFT. Communications in Computational Physics 19, 1141–1166. DOI:10.4208/cicp.scpde14.37s, P06

Bhandary, S., Assmann, E., Aichhorn, M., Held, K., 2016. Charge self-consistency in density functional theory combined with dynamical mean field theory: k-space reoccupation and orbital order. Physical Review B 94. DOI:10.1103/PhysRevB.94.155131, P03

Bliem, R., van der Hoeven, J.E.S., Hulva, J., Pavelec, J., Gamba, O., de Jongh, P.E., Schmid, M., Blaha, P., Diebold, U., Parkinson, G.S., 2016. Dual role of CO in the stability of subnano Pt clusters at the Fe 3 O 4 (001) surface. Proceedings of the National Academy of Sciences 113, 8921–8926. DOI:10.1073/pnas.1605649113, pdf, P07

Bokdam, M., Sander, T., Stroppa, A., Picozzi, S., Sarma, D.D., Franchini, C., Kresse, G., 2016. Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites. Scientific Reports 6, 28618. DOI:10.1038/srep28618, OA, P02 & P15

Borrero, E.E., Dellago, C., 2016. Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling. Eur. Phys. J. Special Topics 225, 1609–1620. DOI:10.1140/epjst/e2016-60106-y, P13

Bosu, S., Sepehri-Amin, H., Sakuraba, Y., Hayashi, M., Abert, C., Suess, D., Schrefl, T., Hono, K., 2016. Reduction of critical current density for out-of-plane mode oscillation in a mag-flip spin torque oscillator using highly spin-polarized Co2Fe(Ga0.5Ge0.5) spin injection layer. Appl. Phys. Lett. 108. DOI:10.1063/1.4942373, P12

Buyens, B., Haegeman, J., Verschelde, H., Verstraete, F., Van Acoleyen, K., 2016a. Confinement and String Breaking for QED 2 in the Hamiltonian Picture. Phys. Rev. X 6, 041040. DOI:10.1103/PhysRevX.6.041040, P04

Buyens, B., Verstraete, F., Van Acoleyen, K., 2016b. Hamiltonian simulation of the Schwinger model at finite temperature. Phys. Rev. D 94, 085018. DOI:10.1103/PhysRevD.94.085018, arXiv:1606.03385P04

Chartier, P., Mauser, N.J., Méhats, F., Zhang, Y., 2016a. Solving highly-oscillatory NLS with SAM: Numerical efficiency and long-time behavior. Discrete and Continuous Dynamical Systems - Series S 9, 1327–1349. DOI:10.3934/dcdss.2016053, P06

Chartier, P., Méhats, F., Thalhammer, M., Zhang, Y., 2016b. Improved error estimates for splitting methods applied to highly-oscillatory nonlinear Schrödinger equations. Mathematics of Computation 85, 2863–2885. DOI:10.1090/mcom/3088, P06

Chizhova, L.A., Libisch, F., Burgdörfer, J., 2016. Nonlinear response of graphene to a few-cycle terahertz laser pulse: Role of doping and disorder. Phys. Rev. B 94, 075412. DOI:10.1103/PhysRevB.94.075412P05

Das, A., Müller, T., Plasser, F., Lischka, H., 2016. Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p -Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study. J. Phys. Chem. A 120, 1625–1636. DOI:10.1021/acs.jpca.5b12393, OA, P05

Doppler, J., Mailybaev, A.A., Böhm, J., Kuhl, U., Girschik, A., Libisch, F., Milburn, T.J., Rabl, P., Moiseyev, N., Rotter, S., 2016. Dynamically encircling an exceptional point for asymmetric mode switching. Nature 537, 76–79. DOI:10.1038/nature18605, arXiv:1603.02325, P05

Dorda, A., Ganahl, M., Andergassen, S., von der Linden, W., Arrigoni, E., 2016. Thermoelectric response of a correlated impurity in the nonequilibrium Kondo regime. Physical Review B 94. DOI:10.1103/PhysRevB.94.245125P03 P16

Dorda, A., Titvinidze, I., Arrigoni, E., 2016. Quasiparticle excitations in steady state transport across a correlated layer. Journal of Physics: Conference Series 696, 012003. DOI:10.1088/1742-6596/696/1/012003, OA, P03

Exl, L., Mauser, N.J., Zhang, Y., 2016. Accurate and efficient computation of nonlocal potentials based on Gaussian-sum approximation. J. Comput. Phys. 327, 629–642. DOI:10.1016/j.jcp.2016.09.045, P06 & P12

Exl, L., 2016. A GPU accelerated and error-controlled solver for the unbounded Poisson equation in three dimensions. arXiv:1612.01799, P06 P12

Flores-Livas, J.A., Amsler, M., Heil, C., Sanna, A., Boeri, L., Profeta, G., Wolverton, C., Goedecker, S., Gross, E.K.U., 2016. Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure. Phys. Rev. B 93. DOI:10.1103/PhysRevB.93.020508, P15

Förster, M., Paschen, T., Krüger, M., Lemell, C., Wachter, G., Libisch, F., Madlener, T., Burgdörfer, J., Hommelhoff, P., 2016. Two-Color Coherent Control of Femtosecond Above-Threshold Photoemission from a Tungsten Nanotip. Phys. Rev. Lett. 117, 217601. DOI:10.1103/PhysRevLett.117.217601, P05

Freitag, N.M., Chizhova, L.A., Nemes-Incze, P., Woods, C.R., Gorbachev, R.V., Cao, Y., Geim, A.K., Novoselov, K.S., Burgdörfer, J., Libisch, F., Morgenstern, M., 2016. Electrostatically Confined Monolayer Graphene Quantum Dots with Orbital and Valley Splittings. Nano Lett. 16, 5798–5805. DOI:10.1021/acs.nanolett.6b02548, OA, P05

Gunnarsson, O., Schäfer, T., LeBlanc, J.P.F., Merino, J., Sangiovanni, G., Rohringer, G., Toschi, A., 2016. Parquet decomposition calculations of the electronic self-energy. Phys. Rev. B 93, 245102. DOI:10.1103/PhysRevB.93.245102P15

Haegeman, J., Lubich, C., Oseledets, I., Vandereycken, B., Verstraete, F., 2016. Unifying time evolution and optimization with matrix product states. Phys. Rev. B 94, 165116. DOI:10.1103/PhysRevB.94.165116, arXiv:1408.5056, P04

He, J., Franchini, C., Rondinelli, J.M., 2016. Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering. Chem. Mater. DOI:10.1021/acs.chemmater.6b03486, P15

He, J., Franchini, C., Rondinelli, J.M., 2016. Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials. Chem. Mater. 28, 25–29. DOI:10.1021/acs.chemmater.5b03356, P15

Heinemann, T., Antlanger, M., Mazars, M., Klapp, S.H.L., Kahl, G., 2016. Equilibrium structures of anisometric, quadrupolar particles confined to a monolayer. J. Chem. Phys. 144, 074504. DOI:10.1063/1.4941585, P14

Jain, V., Gieseler, J., Moritz, C., Dellago, C., Quidant, R., Novotny, L., 2016. Direct Measurement of Photon Recoil from a Levitated Nanoparticle. Phys. Rev. Lett. 116. DOI:10.1103/PhysRevLett.116.243601, P13

Jiang, H., Blaha, P., 2016. GW with linearized augmented plane waves extended by high-energy local orbitals. Phys. Rev. B 93. DOI:10.1103/PhysRevB.93.115203, P07

Jungblut, S., Dellago, C., 2016a. Pathways to self-organization: Crystallization via nucleation and growth. Proceedings of the International School of Physics Enrico Fermi 217–290. DOI:10.3254/978-1-61499-662-0-217. Lecture Notes of the Enrico Fermi School on Soft Matter Self-Assembly, also published in Eur. Phys. J. E 39, 77. DOI:10.1140/epje/i2016-16077-6, P13

Jungblut, S., Dellago, C., 2016b. Heterogeneous Crystallization on Pairs of Pre-Structured Seeds. J. Phys. Chem. B 120, 9230–9239. DOI:10.1021/acs.jpcb.6b06510, P13

Kahl, G., Bianchi, E., Ferrari, S., 2016. Static and dynamic properties of inverse patchy colloids. Proceedings of the International School of Physics Enrico Fermi 291–306. DOI:10.3254/978-1-61499-662-0-291, P14

Khmelevskyi, S., Ruban, A.V., Mohn, P., 2016. Magnetic ordering and exchange interactions in structural modifications of M n 3 Ga alloys: Interplay of frustration, atomic order, and off-stoichiometry. Phys. Rev. B 93. DOI:10.1103/PhysRevB.93.184404, P09

Khmelevskyi, S., Shick, A.B., Mohn, P., 2016. Prospect for tunneling anisotropic magneto-resistance in ferrimagnets: Spin-orbit coupling effects in Mn3 Ge and Mn3 Ga. Appl. Phys. Lett. 109, 222402. DOI:10.1063/1.4970691, P09

Kim, B., Liu, P., Ergönenc, Z., Toschi, A., Khmelevskyi, S., Franchini, C., 2016. Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO 3. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.241113, arXiv:1601.03310, P15

Lahnsteiner, J., Kresse, G., Kumar, A., Sarma, D.D., Franchini, C., Bokdam, M., 2016. Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.214114, arXiv:1608.04991, P02 & P15

Larimian, S., Erattupuzha, S., Lemell, C., Yoshida, S., Nagele, S., Maurer, R., Baltuška, A., Burgdörfer, J., Kitzler, M., Xie, X., 2016. Coincidence spectroscopy of high-lying Rydberg states produced in strong laser fields. Phys. Rev. A 94, 033401. DOI:10.1103/PhysRevA.94.033401, P05

Leitold, C., Dellago, C., 2016. Nucleation and structural growth of cluster crystals. J. Chem. Phys. 145, 074504. DOI:10.1063/1.4960958, P13

Lejaeghere, K., Bihlmayer, G., Bjorkman, T., Blaha, P., Blugel, S., Blum, V., Caliste, D., Castelli, I.E., Clark, S.J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J.K., Di Marco, I., Draxl, C., Du ak, M., Eriksson, O., Flores-Livas, J.A., Garrity, K.F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Granas, O., Gross, E.K.U., Gulans, A., Gygi, F., Hamann, D.R., Hasnip, P.J., Holzwarth, N.A.W., Iu an, D., Jochym, D.B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Kucukbenli, E., Kvashnin, Y.O., Locht, I.L.M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordstrom, L., Ozaki, T., Paulatto, L., Pickard, C.J., Poelmans, W., Probert, M.I.J., Refson, K., Richter, M., Rignanese, G.-M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunstrom, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., van Setten, M.J., Van Speybroeck, V., Wills, J.M., Yates, J.R., Zhang, G.-X., Cottenier, S., 2016. Reproducibility in density functional theory calculations of solids. Science 351, aad3000-aad3000. DOI:10.1126/science.aad3000, P02 & P07

Li, G., Wentzell, N., Pudleiner, P., Thunström, P., Held, K., 2016. Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation. Phys. Rev. B 93. DOI:10.1103/PhysRevB.93.165103, P03 & P16

Liao, Z., Huijben, M., Zhong, Z., Gauquelin, N., Macke, S., Green, R.J., Van Aert, S., Verbeeck, J., Van Tendeloo, G., Held, K., Sawatzky, G.A., Koster, G., Rijnders, G., 2016. Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling. Nature Materials 15, 425–431. DOI:10.1038/nmat4579, P03

Libisch, F., Kliman, A., Rotter, S., Burgdörfer, J., 2016. Transport through graphene nanoribbons: Suppression of transverse quantization by symmetry breaking: Transport through graphene nanoribbons. physica status solidi (b) 253, 2366–2372. DOI:10.1002/pssb.201600260, P05

Liu, P., Kaltak, M., Klimeš, J., Kresse, G., 2016. Cubic scaling GW : Towards fast quasiparticle calculations. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.165109, arXiv:1607.02859, P02

Maggio, E., Kresse, G., 2016. Correlation energy for the homogeneous electron gas: Exact Bethe-Salpeter solution and an approximate evaluation. Physical Review B (Condensed Matter and Materials Physics) 93. DOI:10.1103/PhysRevB.93.235113, P02

Mariën, M., Audenaert, K.M.R., Van Acoleyen, K., Verstraete, F., 2016. Entanglement Rates and the Stability of the Area Law for the Entanglement Entropy. Commun. Math. Phys. 346, 35–73. DOI:10.1007/s00220-016-2709-5, P04

Menzl, G., Dellago, C., 2016. Effect of entropy on the nucleation of cavitation bubbles in water under tension. J. Chem. Phys. 145, 211918. DOI:10.1063/1.4964327, P13

Menzl, G., Gonzalez, M.A., Geiger, P., Caupin, F., Abascal, J.L.F., Valeriani, C., Dellago, C., 2016a. Molecular mechanism for cavitation in water under tension. PNAS 113, 13582–13587. DOI:10.1073/pnas.1608421113.  A commentary of our article appeared in the same issue of PNAS: Lohse, D., Prosperetti, A., 2016. Homogeneous nucleation: Patching the way from the macroscopic to the nanoscopic description. PNAS 113, 13549–13550. DOI:10.1073/pnas.1616271113P13

Menzl, G., Singraber, A., Dellago, C., 2016b. S-shooting: a Bennett–Chandler-like method for the computation of rate constants from committor trajectories. Farad. Discuss. 195, 345–364. DOI:10.1039/C6FD00124FP13

Morawietz, T., Singraber, A., Dellago, C., Behler, J., 2016. How van der Waals interactions determine the unique properties of water. PNAS 113, 8368–8373. DOI:10.1073/pnas.1602375113P13

Moses, P.G., Janotti, A., Franchini, C., Kresse, G., Van de Walle, C.G., 2016. Donor defects and small polarons on the TiO2 (110) surface. J. Appl. Phys. 119, 181503. DOI:10.1063/1.4948239, P15

Palmesi, P., Exl, L., Bruckner, F., Abert, C., Suess, D., 2016. Highly Parallel Demagnetization Field Calculation Using the Fast Multipole Method on Tetrahedral Meshes with Continuous Sources. arXiv:1606.00247P06 P12

Poier, P., Bačová, P., Moreno, A.J., Likos, C.N., Blaak, R., 2016a. Anisotropic effective interactions and stack formation in mixtures of semiflexible ring polymers. Soft Matter 12, 4805–4820. DOI:10.1039/C6SM00430J, P14

Poier, P., Egorov, S.A., Likos, C.N., Blaak, R., 2016b. Concentration-induced planar-to-homeotropic anchoring transition of stiff ring polymers on hard walls. Soft Matter 12, 7983–7994. DOI:10.1039/C6SM01453DP14

Qin, L., Redermeier, A., Kozeschnik, E., Karner, C., Dellago, C., 2016. A Statistical Methodology to Reconstruct Nucleation Pathways in the Fe-Cu System. Materials Science Forum 879, 1529–1534. DOI:10.4028/www.scientific.net/MSF.879.1529, P13

Redermeier, A., Kozeschnik, E., 2016. Bridging the Gap between Ab Initio and Large Scale Studies - A Monte Carlo Study of Cu Precipitation in Fe. Materials Science Forum 879, 1564–1569. DOI:10.4028/www.scientific.net/MSF.879.1564, P13

Reticcioli, M., Profeta, G., Franchini, C., Continenza, A., 2016. Effective band structure of Ru-doped BaFe2As2. Journal of Physics: Conference Series 689, 012027. DOI:10.1088/1742-6596/689/1/012027, OA, P15

Rohringer, G., Toschi, A., 2016. Impact of nonlocal correlations over different energy scales: A dynamical vertex approximation study. Phys. Rev. B 94, 125144. DOI:10.1103/PhysRevB.94.125144P15

Sato, T., Ishikawa, K.L., Březinová, I., Lackner, F., Nagele, S., Burgdörfer, J., 2016. Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation. Phys. Rev. A 94, 023405. DOI:10.1103/PhysRevA.94.023405, arXiv:1605.00703, P05

Schäfer, T., Ciuchi, S., Wallerberger, M., Thunström, P., Gunnarsson, O., Sangiovanni, G., Rohringer, G., Toschi, A., 2016. Nonperturbative landscape of the Mott-Hubbard transition: Multiple divergence lines around the critical endpoint. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.235108P15

Schäfer T., Toschi A., Held K., 2016. Dynamical vertex approximation for the two-dimensional Hubbard model. J. Magn. Magn. Mater. 400, 107–111. DOI:10.1016/j.jmmm.2015.07.103, arXiv:1506.05706, P03 & P15

Schwanzer, D.F., Coslovich, D., Kahl, G., 2016. Two-dimensional systems with competing interactions: dynamic properties of single particles and of clusters. J. Phys. Condens. Matter 28, 414015. DOI:10.1088/0953-8984/28/41/414015, OA, P14

Shahmoon, E., Grišins, P., Stimming, H.P., Mazets, I., Kurizki, G., 2016. Highly nonlocal optical nonlinearities in atoms trapped near a waveguide. Optica 3, 725. DOI:10.1364/OPTICA.3.000725, P06

Silva, N.J., Machado, F.B.C., Lischka, H., Aquino, A.J.A., 2016. π–π stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions. Phys. Chem. Chem. Phys. 18, 22300–22310. DOI:10.1039/C6CP03749F, arXiv:1611.04154, P05

Starke, R., Schober, G.A.H., 2016. Relativistic covariance of Ohm’s law. Int. J. Mod. Phys. D 1640010. DOI:10.1142/S0218271816400101, P02

Steiner, S., Khmelevskyi, S., Marsman, M., Kresse, G., 2016. Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1-xCox alloys. Phys. Rev. B 93. DOI:10.1103/PhysRevB.93.224425, P02

Suess, D., Fuger, M., Abert, C., Bruckner, F., Vogler, C., 2016. Superior bit error rate and jitter due to improved switching field distribution in exchange spring magnetic recording media. Scientific Reports 6. DOI:10.1038/srep27048, P12

Terrés, B., Chizhova, L.A., Libisch, F., Peiro, J., Jörger, D., Engels, S., Girschik, A., Watanabe, K., Taniguchi, T., Rotkin, S.V., Burgdörfer, J., Stampfer, C., 2016. Size quantization of Dirac fermions in graphene constrictions. Nat. Comm. 7, 11528. DOI:10.1038/ncomms11528, OA, P05, featured in TU News, featured in Space Daily

Titvinidze, I., Dorda, A., von der Linden, W., Arrigoni, E., 2016. Resonance effects in correlated multilayer heterostructures. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.245142, P03

Tran, F., Blaha, P., Betzinger, M., Blügel, S., 2016. Approximations to the exact exchange potential: KLI versus semilocal. Physical Review B 94. DOI:10.1103/PhysRevB.94.165149, arXiv:1608.08415, P07

Tran, F., Stelzl, J., Blaha, P., 2016. Rungs 1 to 4 of DFT Jacob’s ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids. The Journal of Chemical Physics 144, 204120. DOI:10.1063/1.4948636, arXiv:1603.01504, P07

Valli, A., Amaricci, A., Toschi, A., Saha-Dasgupta, T., Held, K., Capone, M., 2016. Effective magnetic correlations in hole-doped graphene nanoflakes. Phys. Rev. B 94. DOI:10.1103/PhysRevB.94.245146, P03 & P15

Van Acoleyen, K., Bultinck, N., Haegeman, J., Marien, M., Scholz, V.B., Verstraete, F., 2016. Entanglement of Distillation for Lattice Gauge Theories. Phys. Rev. Lett. 117, 131602. DOI:10.1103/PhysRevLett.117.131602arXiv:1511.04369P04

Vanderstraeten, L., Haegeman, J., Corboz, P., Verstraete, F., 2016a. Gradient methods for variational optimization of projected entangled-pair states. Phys. Rev. B 94, 155123. DOI:10.1103/PhysRevB.94.155123arXiv:1606.09170P04

Vanderstraeten, L., Haegeman, J., Verstraete, F., Poilblanc, D., 2016b. Quasiparticle interactions in frustrated Heisenberg chains. Phys. Rev. B 93, 235108. DOI:10.1103/PhysRevB.93.235108P04

Vazdar, M., Eckert-Maksić, M., Lischka, H., 2016. The Antiferromagnetic Spin Coupling in Non-Kekulé Acenes-Impressive Polyradical Character Revealed by High-Level Multireference Methods. ChemPhysChem 17, 2013–2021. DOI:10.1002/cphc.201600103, P05

Virdi, K.S., Kauffmann, Y., Ziegler, C., Ganter, P., Blaha, P., Lotsch, B.V., Kaplan, W.D., Scheu, C., 2016. Band Gap Extraction from Individual Two-Dimensional Perovskite Nanosheets Using Valence Electron Energy Loss Spectroscopy. The Journal of Physical Chemistry C 120, 11170–11179. DOI:10.1021/acs.jpcc.6b00142, P07

Vogler, C., Abert, C., Bruckner, F., Suess, D., Praetorius, D., 2016a. Areal density optimizations for heat-assisted magnetic recording of high-density media. J. Appl. Phys. 119. DOI:10.1063/1.4953390, P12

Vogler, C., Abert, C., Bruckner, F., Suess, D., Praetorius, D., 2016b. Basic noise mechanisms of heat-assisted-magnetic recording. J. Appl. Phys. 120. DOI:10.1063/1.4964949, P12

Vogler, C., Abert, C., Bruckner, F., Suess, D., Praetorius, D., 2016c. Heat-assisted magnetic recording of bit-patterned media beyond 10 Tb/in2. Appl. Phys. Lett. 108. DOI:10.1063/1.4943629, P12

Wang, L., Gu, Z.-C., Verstraete, F., Wen, X.-G., 2016. Tensor-product state approach to spin-1/2 square J1-J2 antiferromagnetic Heisenberg model: Evidence for deconfined quantum criticality. Phys. Rev. B 94, 075143. DOI:10.1103/PhysRevB.94.075143, arXiv:1112.3331P04

Wang, H., Zhang, Y., Ma, X., Qiu, J., Liang, Y., 2016. An efficient implementation of fourth-order compact finite difference scheme for Poisson equation with Dirichlet boundary conditions. Computers & Mathematics with Applications 71, 1843–1860. DOI:10.1016/j.camwa.2016.02.022, P06

Wentzell, N., Florens, S., Meng, T., Meden, V., Andergassen, S., 2016. Magnetoelectric spectroscopy of Andreev bound states in Josephson quantum dots. Phy. Rev. B 94. DOI:10.1103/PhysRevB.94.085151, arXiv:1605.09313, P04 P16

Wentzell, N., Li, G., Tagliavini, A., Taranto, C., Rohringer, G., Held, K., Toschi, A., Andergassen, S., 2016. High-frequency asymptotics of the vertex function: diagrammatic parametrization and algorithmic implementation. arXiv:1610.06520, P03, P15 & P16

Wickramaratne, D., Shen, J.-X., Dreyer, C.E., Engel, M., Marsman, M., Kresse, G., Marcinkevičius, S., Alkauskas, A., Van de Walle, C.G., 2016. Iron as a source of efficient Shockley-Read-Hall recombination in GaN. Appl. Phys. Lett. 109, 162107. DOI:10.1063/1.4964831, P02

Williamson, D.J., Bultinck, N., Mariën, M., Şahinoğlu, M.B., Haegeman, J., Verstraete, F., 2016. Matrix product operators for symmetry-protected topological phases: Gauging and edge theories. Phys. Rev. B 94, 205150. DOI:10.1103/PhysRevB.94.205150, arXiv:1412.5604, P04

Wirnsberger, P., Fijan, D., Šarić, A., Neumann, M., Dellago, C., Frenkel, D., 2016. Non-equilibrium simulations of thermally induced electric fields in water. J. Chem. Phys. 144, 224102. DOI:10.1063/1.4953036, P13

Wissgott, P., Held, K., 2016. Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study. The European Physical Journal B 89. DOI:10.1140/epjb/e2015-60753-5, P03

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