Table of Contents (Print, Part 1)

CONTENTS - Continued

PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Publisher’s Note: Detailed low-energy electron diffraction analysis of the (4 × 4) surface structure of C60 on Cu(111): Seven-atom-vacancy reconstruction [Phys. Rev. B 86, 075419 (2012)] (1 page) ...... 079913(E) Geng Xu, Xing-Qiang Shi, R. Q. Zhang, Woei Wu Pai, H. T. Jeng, and M. A. Van Hove Erratum: High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide [Phys. Rev. B 83, 153101 (2011)] (1 page) ...... 079914(E) Nongnuch Artrith, Tobias Morawietz, and Jorg¨ Behler Erratum: Generation of electron spin polarization in disordered organic semiconductors [Phys. Rev. B 86, 035206 (2012)] (1 page) ...... 079915(E) A. I. Shushin

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Role of nanostructure on reaction and transport in Ni/Al intermolecular reactive composites (7 pages) ...... 075470 Mathew J. Cherukara, Karthik Guda Vishnu, and Alejandro Strachan

Intersubband resistance oscillations in crossed electric and magnetic ﬁelds (9 pages) ...... 075471 Scott Dietrich, Sean Byrnes, Sergey Vitkalov, A. V. Goran, and A. A. Bykov

ERRATA

Publisher’s Note: Analysis of lateral hopping of a single CO molecule on Pd(110) [Phys. Rev. B 86, 035440 (2012)] (1 page) ...... 079901(E) H. Ueba Publisher’s Note: Magnetic phases in the one-dimensional Kondo chain on a metallic surface [Phys. Rev. B 86, 035455 (2012)] (1 page) ...... 079902(E) Alejandro M. Lobos, Miguel A. Cazalilla, and Piotr Chudzinski

Erratum: First-principles calculation of carrier-phonon scattering in n-type Si1−x Gex alloys [Phys. Rev. B 78, 035202 (2008)] (1 page) ...... 079903(E) F. Murphy-Armando and S. Fahy

Erratum: Quantum confinement of Mott electrons in ultrathin LaNiO3/LaAlO3 superlattices [Phys. Rev. B 83, 161102(R) (2011)] (1 page) ...... 079904(E) Jian Liu, S. Okamoto, M. van Veenendaal, M. Kareev, B. Gray, P. Ryan, J. W. Freeland, and J. Chakhalian Erratum: Integral quantum Hall effect in graphene: Zero and finite Hall field [Phys. Rev. B 83, 075427 (2011)] (1 page) ...... 079905(E) P. M. Krstajic´ and P. Vasilopoulos Publisher’s Note: Plasmonic excitation of light emission and absorption by porphyrine molecules in a scanning tunneling microscope [Phys. Rev. B 86, 035445 (2012)] (1 page) ...... 079906(E) Natalia L. Schneider and Richard Berndt Erratum: Electromagnetic modes of a disordered photonic crystal [Phys. Rev. B 83, 085301 (2011)] (2 pages) . . . 079907(E) Vincenzo Savona

Erratum: Band offsets and Fermi level pinning at metal-Al2O3 interfaces [Phys. Rev. B 84, 155317 (2011)] (1 page) 079908(E) Lior Kornblum, Jonathan A. Rothschild, Yaron Kauffmann, Reuven Brener, and Moshe Eizenberg

Erratum: Magnetic ﬁeld effects on transport properties of PtSn4 [Phys. Rev. B 85, 035135 (2012)] (1 page) ...... 079909(E) Eundeok Mun, Hyunjin Ko, Gordon J. Miller, German D. Samolyuk, Sergey L. Bud’ko, and Paul. C. Canﬁeld Publisher’s Note: Crystalline GeTe-based phase-change alloys: Disorder in order [Phys. Rev. B 86, 045212 (2012)] (1 page) ...... 079910(E) Milos Krbal, Alexander V. Kolobov, Paul Fons, Junji Tominaga, S. R. Elliott, J. Hegedus, A. Giussani, K. Perumal, R. Calarco, T. Matsunaga, N. Yamada, K. Nitta, and T. Uruga

Erratum: Anatomy of the self-energy [Phys. Rev. B 84, 165112 (2011)] (1 page) ...... 079911(E) B. Sriram Shastry Erratum: Quasiparticles, plasmarons, and quantum spectral function in bilayer graphene [Phys. Rev. B 84, 041408(R) (2011)] (1 page) ...... 079912(E) Rajdeep Sensarma, E. H. Hwang, and S. Das Sarma

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Simulation of solid-friction dependence on number of surface atoms and theoretical approach for inﬁnite number of atoms (8 pages) ...... 075453 Seiji Kajita, Hitoshi Washizu, and Toshihide Ohmori

Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides (7 pages) 075454 Swastibrata Bhattacharyya and Abhishek K. Singh

Catalytic growth of N-doped MgO on Mo(001) (5 pages) ...... 075455 Martin Grob, Marco Pratzer, Markus Morgenstern, and Marjana Lezaiˇ c´

Variable-temperature study of the transport through a single octanethiol molecule (4 pages) ...... 075456 Rene´ Heimbuch, Hairong Wu, Avijit Kumar, Bene Poelsema, Peter Schon,¨ G. Julius Vancso, and Harold J. W. Zandvliet Bosonic ﬁeld theory of tunable edge magnetism in graphene (10 pages) ...... 075458 Manuel J. Schmidt Seamless elastic boundaries for atomistic calculations (12 pages) ...... 075459 Lars Pastewka, Tristan A. Sharp, and Mark O. Robbins Structural and electronic properties of the Au(001)/Fe(001) interface from density functional theory calculations (12 pages)...... 075460 Magali Benoit, Cyril Langlois, Nicolas Combe, Hao Tang, and Marie-Jose´ Casanove

√ √ ◦ (2 3 × 2 3)R30 induced self-assembly ordering by C60 on a Au(111) surface: X-ray diffraction structure analysis (10 pages) ...... 075461 X. Torrelles, M. Pedio, C. Cepek, and R. Felici

k-dependent optics of nanostructures: Spatial dispersion of metallic nanorings and split-ring resonators (5 pages) 075462 Bruno Gompf, Barbara Krausz, Bettina Frank, and Martin Dressel

Nucleation of plasmonic resonance nanoparticles (5 pages) ...... 075463 Victor G. Karpov, Marco Nardone, and Nicholas I. Grigorchuk

Searching for conﬁned modes in graphene channels: The variable phase method (8 pages) ...... 075464 D. A. Stone, C. A. Downing, and M. E. Portnoi

Oxygen-assisted Ni growth on Fe(001): Observation of an “anti-surfactant” effect (8 pages) ...... 075465 A. Picone, G. Bussetti, M. Riva, A. Calloni, A. Brambilla, L. Duo,` F. Ciccacci, and M. Finazzi Radiative heat transfer between neighboring particles (10 pages)...... 075466 Alejandro Manjavacas and F. Javier Garc´ıa de Abajo

Electronic multicriticality in bilayer graphene (24 pages) ...... 075467 Vladimir Cvetkovic, Robert E. Throckmorton, and Oskar Vafek

Atomic-resolution imaging of the polar (0001) surface of LiNbO3 in aqueous solution by frequency modulation atomic force microscopy (4 pages) ...... 075468 S. Rode, R. Holscher,¨ S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W. G. Schmidt, and A. Kuhnle¨

Inversed linear dichroism in F K-edge NEXAFS spectra of ﬂuorinated planar aromatic molecules (6 pages) . . . . . 075469 D. G. de Oteyza, A. Sakko, A. El-Sayed, E. Goiri, L. Floreano, A. Cossaro, J. M. Garcia-Lastra, A. Rubio, and J. E. Ortega

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Magnetic properties of small size-selected Co and CoPt clusters on Ni (5 pages) ...... 075435 L. Glaser, K. Chen, S. Fiedler, M. Wellhofer,¨ W. Wurth, and M. Martins

Phase diagrams of Bi1−x Sbx thin ﬁlms with different growth orientations (6 pages) ...... 075436 Shuang Tang and M. S. Dresselhaus

Subwavelength chiral surface plasmons that carry tuneable orbital angular momentum (5 pages) ...... 075437 Felix Ruting,¨ A. I. Fernandez-Dom´ ´ınguez, L. Mart´ın-Moreno, and F. J. Garc´ıa-Vidal

Strong exciton-plasmon interaction in semiconductor-insulator-metal nanowires (7 pages)...... 075438 Jie-Yun Yan Dynamical conductivity of AA-stacked bilayer graphene (12 pages) ...... 075439 C. J. Tabert and E. J. Nicol Much stronger binding of metal adatoms to silicene than to graphene: A ﬁrst-principles study (9 pages) ...... 075440 Xianqing Lin and Jun Ni

Spin Hall conductivity on the anisotropic triangular lattice (8 pages) ...... 075441 P. Wenk, S. Kettemann, and G. Bouzerar Magnetothermal transport in spin-ladder systems (13 pages) ...... 075442 Ofer Shlagman and Efrat Shimshoni

Enhanced Andreev reﬂection in gapped graphene (7 pages) ...... 075443 Leyla Majidi and Malek Zareyan

Interlayer commensurability and superlubricity in rigid layered materials (8 pages) ...... 075444 Oded Hod

Local and nonlocal electron-phonon couplings in K3 picene and the effect of metallic screening (12 pages) ...... 075445 Michele Casula, Matteo Calandra, and Francesco Mauri Phonons and electron-phonon interaction at the Sb(111) surface (7 pages)...... 075446 Davide Campi, Marco Bernasconi, and Giorgio Benedek

Analysis of the Kondo effect in ferromagnetic atomic-sized contacts (17 pages) ...... 075447 M. R. Calvo, D. Jacob, and C. Untiedt Effect of electron-electron interactions on the electronic structure and conductance of graphene nanoconstrictions (7 pages) ...... 075448 S. Ihnatsenka and G. Kirczenow Dynamics of exciton-hole recombination in hole-doped single-walled carbon nanotubes (5 pages) ...... 075449 Taishi Nishihara, Yasuhiro Yamada, and Yoshihiko Kanemitsu Edge excitations of the canted antiferromagnetic phase of the ν = 0 quantum Hall state in graphene: A simpliﬁed analysis (10 pages)...... 075450 Maxim Kharitonov Junctions of multiple quantum wires with different Luttinger parameters (13 pages) ...... 075451 Chang-Yu Hou, Armin Rahmani, Adrian E. Feiguin, and Claudio Chamon

Cotunneling renormalization in carbon nanotube quantum dots (12 pages) ...... 075452 Gediminas Kirsanskas,ˇ Jens Paaske, and Karsten Flensberg

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Work ﬂuctuation theorem for a classical circuit coupled to a quantum conductor (8 pages)...... 075420 Y. Utsumi, D. S. Golubev, M. Marthaler, Gerd Schon,¨ and Kensuke Kobayashi

N-rich B-C-N layers: From segregated alloy to solid solution (5 pages) ...... 075421 Jonathan da Rocha Martins and Helio Chacham Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective (11 pages) ...... 075422 A. N. Rudenko, F. J. Keil, M. I. Katsnelson, and A. I. Lichtenstein Electromechanical switching behavior of individual molecular complexes of Cu and Ni on NaCl-covered Cu(111) and Ag(111) (7 pages) ...... 075423 Hermann Walch, Thomas Leoni, Olivier Guillermet, Veronique´ Langlais, Andrew Scheuermann, Jacques Bonvoisin, and Sebastien´ Gauthier Inﬂuence of e-e scattering on the temperature dependence of the resistance of a classical ballistic point contact in a two-dimensional electron system (12 pages) ...... 075425 M. Yu. Melnikov, J. P. Kotthaus, V. Pellegrini, L. Sorba, G. Biasiol, and V. S. Khrapai

Thermoelectric properties of Bi0.5Sb1.5Te3/C60 nanocomposites (8 pages) ...... 075426 V. D. Blank, S. G. Buga, V. A. Kulbachinskii, V. G. Kytin, V. V. Medvedev, M. Yu. Popov, P. B. Stepanov, and V. F. Skok

Sculpting molecular structures from bilayer graphene and other materials (4 pages) ...... 075427 Laith Algharagholy, Steven W. D. Bailey, Thomas Pope, and Colin J. Lambert Strong chiral optical response from planar arrays of subwavelength metallic structures supporting surface plasmon resonances (7 pages)...... 075428 F. Eftekhari and T. J. Davis Anomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers (12 pages) ...... 075429 Li Song, Luis Balicas, Duncan J. Mowbray, Rodrigo B. Capaz, Kevin Storr, Lijie Ci, Deep Jariwala, Stefan Kurth, Steven G. Louie, Angel Rubio, and Pulickel M. Ajayan

Nonlinear Fano proﬁles in the optical second-harmonic generation from silver nanoparticles (5 pages) ...... 075430 J. Butet, G. Bachelier, I. Russier-Antoine, F. Bertorelle, A. Mosset, N. Lascoux, C. Jonin, E. Benichou, and P.-F. Brevet Nonthermal emission of energetic ions from a metal surface irradiated by extremely low-ﬂuence femtosecond laser pulses (5 pages) ...... 075431 Yasuhiro Miyasaka, Masaki Hashida, Yoshinobu Ikuta, Kazuto Otani, Shigeki Tokita, and Shuji Sakabe

Nature of hydrogen bonding in hydroxyl groups on a metal surface (4 pages) ...... 075432 Ikutaro Hamada, Takashi Kumagai, Akitoshi Shiotari, Hiroshi Okuyama, Shinichiro Hatta, and Tetsuya Aruga

Effect of gadolinium adatoms on the transport properties of graphene (5 pages) ...... 075433 M. Alemani, A. Barfuss, B. Geng, C. Girit, P. Reisenauer, M. F. Crommie, F. Wang, A. Zettl, and F. Hellman

Quantum-well states with image state character for Pb overlayers on Cu(111) (11 pages) ...... 075434 A. Zugarramurdi, N. Zabala, V. M. Silkin, E. V. Chulkov, and A. G. Borisov

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Optical frequency mixing through nanoantenna enhanced difference frequency generation: Metatronic mixer (9 pages) ...... 075405 Uday K. Chettiar and Nader Engheta

Raman response of stage-1 graphite intercalation compounds revisited (6 pages) ...... 075406 J. C. Chacon-Torres,´ A. Y. Ganin, M. J. Rosseinsky, and T. Pichler

Multiscale approach for simulations of Kelvin probe force microscopy with atomic resolution (20 pages)...... 075407 Ali Sadeghi, Alexis Baratoff, S. Alireza Ghasemi, Stefan Goedecker, Thilo Glatzel, Shigeki Kawai, and Ernst Meyer

First stages of silicon oxidation with the activation relaxation technique (7 pages) ...... 075408 Patrick Ganster, Laurent Karim Beland,´ and Normand Mousseau Electronic properties probed by scanning tunneling spectroscopy: From isolated gold nanocrystal to well-deﬁned supracrystals (6 pages) ...... 075409 Peng Yang, Imad Arfaoui, Tristan Cren, Nicolas Goubet, and Marie-Paule Pileni

Josephson and proximity effects on the surface of a topological insulator (6 pages) ...... 075410 Takehito Yokoyama

Thermoelectricity in graphene: Effects of a gap and magnetic ﬁelds (5 pages) ...... 075411 Aavishkar A. Patel and Subroto Mukerjee Measurement of electronic splitting in PbS quantum dots by two-dimensional nonlinear spectroscopy (5 pages) ...... 075412 Elad Harel, Sara M. Rupich, Richard D. Schaller, Dmitri V. Talapin, and Gregory S. Engel

Quantum correlations in nanostructured two-impurity Kondo systems (7 pages)...... 075413 Marco Nizama, Diego Frustaglia, and Karen Hallberg

Magneto-optical and optical probes of gapped ground states of bilayer graphene (13 pages) ...... 075414 E. V. Gorbar, V. P. Gusynin, A. B. Kuzmenko, and S. G. Sharapov Role of pore morphology in positronium diffusion in mesoporous silica thin ﬁlms and in positronium emission from the surfaces (5 pages) ...... 075415 Chunqing He, Shaojie Wang, Yoshinori Kobayashi, Toshiyuki Ohdaira, and Ryoichi Suzuki

Polarized photoluminescence characteristics of rubrene sheets with nanometer thickness (8 pages) ...... 075416 Jin Woo Lee, Seong Gi Jo, Jinsoo Joo, Jin Heung Kim, and Heesuk Rho

Reversible graphene-metal contact through hydrogenation (6 pages) ...... 075417 Srivats Rajasekaran, Sarp Kaya, Frank Abild-Pedersen, Toyli Anniyev, Fan Yang, Dario Stacchiola, Hirohito Ogasawara, and Anders Nilsson

Magnetic properties of HgTe quantum wells (17 pages) ...... 075418 Benedikt Scharf, Alex Matos-Abiague, and Jaroslav Fabian

Detailed low-energy electron diffraction analysis of the (4 × 4) surface structure of C60 on Cu(111): Seven-atom-vacancy reconstruction (7 pages) ...... 075419 Geng Xu, Xing-Qiang Shi, R. Q. Zhang, Woei Wu Pai, H. T. Jeng, and M. A. Van Hove

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Exciton localization in doped Si nanocrystals from single dot spectroscopy studies (6 pages) ...... 075311 I. Sychugov, J. Valenta, K. Mitsuishi, and J. Linnros

Tunneling of electrons between Si nanocrystals embedded in a SiO2 matrix (7 pages)...... 075312 K. Seino, F. Bechstedt, and P. Kroll Nanomechanical resonator coupled linearly via its momentum to a quantum point contact (16 pages) ...... 075313 Latchezar L. Benatov and Miles P. Blencowe High guided mode–cavity mode coupling for an efﬁcient extraction of spontaneous emission of a single quantum dot embedded in a photonic crystal nanobeam cavity (9 pages) ...... 075314 Alexandre Enderlin, Yasutomo Ota, Ryuichi Ohta, Naoto Kumagai, Satomi Ishida, Satoshi Iwamoto, and Yasuhiko Arakawa Modeling the inﬂuence of doping on the performance of bulk heterojunction organic solar cells: One-dimensional effective semiconductor versus two-dimensional donor/acceptor model (13 pages) ...... 075315 Felix Florian Stelzl and Uli Wurfel¨ Large insulating gap in topological insulators induced by negative spin-orbit splitting (5 pages) ...... 075316 Julien Vidal, Xiuwen Zhang, Vladan Stevanovic,´ Jun-Wei Luo, and Alex Zunger

Band gap of wurtzite GaAs: A resonant Raman study (5 pages) ...... 075317 Patryk Kusch, Steffen Breuer, Manfred Ramsteiner, Lutz Geelhaar, Henning Riechert, and Stephanie Reich

Nonlocal noise cross correlation mediated by entangled Majorana fermions (7 pages)...... 075318 Hai-Feng Lu,¨ Hai-Zhou Lu, and Shun-Qing Shen

Residual disorder and diffusion in thin Heusler alloy ﬁlms (7 pages) ...... 075319 B. Jenichen, J. Herfort, T. Hentschel, A. Nikulin, X. Kong, A. Trampert, and I. Ziˇ zakˇ

Energetics and approximate quasiparticle electronic structure of low-index surfaces of SnO2 (13 pages) ...... 075320 Sebastian Kufner,¨ Andre´ Schleife, Benjamin Hofﬂing,¨ and Friedhelm Bechstedt Hole spin precession in a (In,Ga)As quantum dot ensemble: From resonant spin ampliﬁcation to spin mode locking (5 pages) ...... 075321 S. Varwig, A. Schwan, D. Barmscheid, C. Muller,¨ A. Greilich, I. A. Yugova, D. R. Yakovlev, D. Reuter, A. D. Wieck, and M. Bayer

Surface physics, nanoscale physics, low-dimensional systems

Growth and electronic structure of nitrogen-doped graphene on Ni(111) (6 pages) ...... 075401 R. J. Koch, M. Weser, W. Zhao, F. Vines,˜ K. Gotterbarm, S. M. Kozlov, O. Hofert,¨ M. Ostler, C. Papp, J. Gebhardt, H.-P. Steinruck,¨ A. Gorling,¨ and Th. Seyller

Transport properties of graphene containing structural defects (18 pages) ...... 075402 Aurelien´ Lherbier, Simon M.-M. Dubois, Xavier Declerck, Yann-Michel Niquet, Stephan Roche, and Jean-Christophe Charlier

Inﬂuence of disorder on thermal transport properties of boron nitride nanostructures (5 pages) ...... 075403 Cem Sevik, Alper Kinaci, Justin B. Haskins, and Tahir C¸agın˘

Opening and tuning of band gap by the formation of diamond superlattices in twisted bilayer graphene (11 pages) 075404 Andre R. Muniz and Dimitrios Maroudas

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Oxidation-enhanced annealing of implantation-induced Z1/2 centers in 4H-SiC: Reaction kinetics and modeling (8 pages) ...... 075205 L. S. Løvlie and B. G. Svensson Modeling of positive and negative organic magnetoresistance in organic light-emitting diodes (8 pages) ...... 075206 Sijie Zhang, N. J. Rolfe, P. Desai, P. Shakya, A. J. Drew, T. Kreouzis, and W. P. Gillin

Optical signature of Mg-doped GaN: Transfer processes (14 pages) ...... 075207 G. Callsen, M. R. Wagner, T. Kure, J. S. Reparaz, M. Bugler,¨ J. Brunnmeier, C. Nenstiel, A. Hoffmann, M. Hoffmann, J. Tweedie, Z. Bryan, S. Aygun, R. Kirste, R. Collazo, and Z. Sitar

Electronic bands of III-V semiconductor polytypes and their alignment (12 pages) ...... 075208 Abderrezak Belabbes, Christian Panse, Jurgen¨ Furthmuller,¨ and Friedhelm Bechstedt

Calculation of point defects in rutile TiO2 by the screened-exchange hybrid functional (8 pages) ...... 075209 Hsin-Yi Lee (), Stewart J. Clark, and John Robertson

Semiconductors II: surfaces, interfaces, microstructures, and related topics

Band alignment and electronic structure of the anatase TiO2/SrTiO3(001) heterostructure integrated on Si(001) (9 pages) ...... 075301 Hosung Seo, Agham B. Posadas, Chandrima Mitra, Alexander V. Kvit, Jamal Ramdani, and Alexander A. Demkov Spin and charge structure of the surface states in topological insulators (7 pages)...... 075302 P. G. Silvestrov, P. W. Brouwer, and E. G. Mishchenko Kondo physics and orbital degeneracy interact to boost thermoelectrics on the nanoscale (5 pages) ...... 075303 J. Azema, A.-M. Dare,´ S. Schafer,¨ and P. Lombardo Shockley model description of surface states in topological insulators (15 pages)...... 075304 Sergey S. Pershoguba and Victor M. Yakovenko Fano effect due to ponderomotive coupling in intersubband response of semiconductor quantum wells (5 pages) ...... 075305 M. Baudisch, M. Wagner, H. Schneider, D. Stehr, M. Helm, P. Atkinson, Y. Huo, O. G. Schmidt, A. M. Andrews, and G. Strasser Ambipolar transport in bulk crystals of a topological insulator by gating with ionic liquid (7 pages)...... 075306 Kouji Segawa, Zhi Ren, Satoshi Sasaki, Tetsuya Tsuda, Susumu Kuwabata, and Yoichi Ando

Spatial analysis of the photocurrent generation and transport in semiconductor nanocrystal ﬁlms (6 pages) ...... 075307 Stefan Kudera, Yang Zhang, Enzo Di Fabrizio, Liberato Manna, and Roman Krahne

Calculation of terahertz conductivity spectra in semiconductors with nanoscale modulation (7 pages) ...... 075308 Jan Mrozek and Hynek Nemecˇ

Subwavelength imaging with quantum metamaterials (5 pages) ...... 075309 Ki Youl Yang, Vincenzo Giannini, Alexey O. Bak, Hemmel Amrania, Stefan A. Maier, and Chris C. Phillips

Quantum magnetotransport properties of topological insulators under strain (4 pages) ...... 075310 M. Tahir and U. Schwingenschlogl¨

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Structural dynamics of two-dimensional charge-density waves in CeTe3 investigated by ultrafast electron crystallography (7 pages) ...... 075145 Tzong-Ru T. Han, Zhensheng Tao, Subhendra D. Mahanti, Kiseok Chang, Chong-Yu Ruan, Christos D. Malliakas, and Mercouri G. Kanatzidis Tuning the magnetic moments in zigzag graphene nanoribbons: Effects of metal substrates (6 pages) ...... 075146 Jingzhe Chen, Marco Vanin, Yibin Hu, and Hong Guo

Luttinger-liquid theory of purple bronze Li0.9Mo6O17 in the charge regime (19 pages) ...... 075147 P. Chudzinski, T. Jarlborg, and T. Giamarchi

Nonlinear doublon production in a Mott insulator: Landau-Dykhne method applied to an integrable model (13 pages) 075148 Takashi Oka

Comprehensive picture of VO2 from band theory (4 pages) ...... 075149 Zhiyong Zhu and Udo Schwingenschlogl¨ Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models (15 pages) ...... 075150 L. Merker and T. A. Costi Carbon allotropes with triple bond predicted by first-principle calculation: Triple bond modified diamond and T-carbon (5 pages) ...... 075151 Jun Young Jo and Bog G. Kim

Photonic realization of the (2+1)-dimensional parity anomaly (10 pages) ...... 075152 Tetsuyuki Ochiai Full density-matrix numerical renormalization group calculation of impurity susceptibility and speciﬁc heat of the Anderson impurity model (8 pages) ...... 075153 L. Merker, A. Weichselbaum, and T. A. Costi Seeing the light: Experimental signatures of emergent electromagnetism in a quantum spin ice (25 pages) ...... 075154 Owen Benton, Olga Sikora, and Nic Shannon

Semiconductors I: bulk

Nonlocal host isotope effect in silicon: High-resolution spectroscopy of the 29 cm−1 oxygen vibrational line (8 pages) ...... 075201 K. Laßmann, B. P. Gorshunov, A. S. Prokhorov, E. S. Zhukova, P. S. Korolev, V. P. Kalinushkin, V. G. Plotnichenko, N. V. Abrosimov, P. G. Sennikov, H.-J. Pohl, and M. Dressel Mechanism of thermal conductivity suppression in doped silicon studied with nonequilibrium molecular dynamics (6 pages) ...... 075202 Yongjin Lee and Gyeong S. Hwang

Site localization of Cd impurities in sapphire (12 pages) ...... 075203 G. N. Darriba, M. Renter´ıa, H. M. Petrilli, and L. V. C. Assali Storage of charge carriers on emitter molecules in organic light-emitting diodes (9 pages) ...... 075204 Caroline Weichsel, Lorenzo Burtone, Sebastian Reineke, Susanne I. Hintschich, Malte C. Gather, Karl Leo, and Bjorn¨ Lussem¨

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Macroscopic electromagnetic response of arbitrarily shaped spatially dispersive bodies formed by metallic wires (13 pages) ...... 075129 Joao˜ T. Costa and Mario´ G. Silveirinha Rubidium superoxide: A p-electron Mott insulator (6 pages) ...... 075130 Roman Kova´cik,ˇ Philipp Werner, Krzysztof Dymkowski, and Claude Ederer

Density-functional theory with adaptive pair density: The Gutzwiller approximation as a density functional (4 pages) 075131 J. Lorenzana, Z.-J. Ying, and V. Brosco Spin-independent V-representability of Wigner crystal oscillations in one-dimensional Hubbard chains: The role of spin-charge separation (8 pages) ...... 075132 Daniel Vieira Dimerized phase in the cross-coupled antiferromagnetic spin ladder (6 pages) ...... 075133 G. Barcza, O.¨ Legeza, R. M. Noack, and J. Solyom´

Plane-wave transport method for low-symmetry lattices and its application (8 pages) ...... 075134 Manoj K. Srivastava, Yan Wang, X.-G. Zhang, D. M. C. Nicholson, and Hai-Ping Cheng

Electron spin resonance in antiferro-quadrupolar-ordered CeB6 (11 pages) ...... 075135 P. Schlottmann Continuous transitions between composite Fermi liquid and Landau Fermi liquid: A route to fractionalized Mott insulators (14 pages) ...... 075136 Maissam Barkeshli and John McGreevy

Probing the bulk electronic states of Bi2Se3 using nuclear magnetic resonance (6 pages) ...... 075137 Ben-Li Young, Zong-Yo Lai, Zhijun Xu, Alina Yang, G. D. Gu, Z.-H. Pan, T. Valla, G. J. Shu, R. Sankar, and F. C. Chou Asymmetric transmission in planar chiral split-ring metamaterials: Microscopic Lorentz-theory approach (12 pages) 075138 Andrey V. Novitsky, Vladimir M. Galynsky, and Sergei V. Zhukovsky

1 Phase transition between topological states in a spin- 2 quantum chain (5 pages) ...... 075139 Igor N. Karnaukhov Joint density functional theory of the electrode-electrolyte interface: Application to ﬁxed electrode potentials, interfacial capacitances, and potentials of zero charge (16 pages) ...... 075140 Kendra Letchworth-Weaver and T. A. Arias Dynamical mean-ﬁeld theory of indirect magnetic exchange (13 pages) ...... 075141 Irakli Titvinidze, Andrej Schwabe, Niklas Rother, and Michael Potthoff

Quantum interface unbinding transitions (8 pages) ...... 075142 P. Jakubczyk

Correlated super-Bloch oscillations (8 pages) ...... 075143 Stefano Longhi and Giuseppe Della Valle

Bloch-Zener oscillations of strongly correlated electrons (8 pages) ...... 075144 Stefano Longhi

(Continued)

The editors and referees of PRB ﬁnd these papers to be of particular interest, importance, or clarity. Please see our Announcement Phys. Rev. B 77, 130001 (2008). CONTENTS - Continued

PHYSICAL REVIEW B THIRD SERIES, VOLUME 86, NUMBER 7 AUGUST 2012-15(I)

Effect of magnetic ﬁeld on ferroelectric properties of BiFeO3/La5/8Ca3/8MnO3 epitaxial heterostructures (7 pages) 075113 Yukuai Liu, Yiping Yao, Sining Dong, Shengwei Yang, and Xiaoguang Li Linear optical properties and electronic structures of poly(3-hexylthiophene) and poly(3-hexylselenophene) crystals from ﬁrst principles (10 pages) ...... 075114 Takao Tsumuraya, Jung-Hwan Song, and Arthur J. Freeman

Topological liquid nucleation induced by vortex-vortex interactions in Kitaev’s honeycomb model (7 pages) . . . . . 075115 Ville Lahtinen, Andreas W. W. Ludwig, Jiannis K. Pachos, and Simon Trebst

Large negative electronic compressibility of LaAlO3-SrTiO3 interfaces with ultrathin LaAlO3 layers (4 pages) . . . 075116 V. Tinkl, M. Breitschaft, C. Richter, and J. Mannhart Matrix product states for critical spin chains: Finite-size versus ﬁnite-entanglement scaling (16 pages) ...... 075117 B. Pirvu, G. Vidal, F. Verstraete, and L. Tagliacozzo

Topological phases in a two-dimensional lattice: Magnetic ﬁeld versus spin-orbit coupling (18 pages)...... 075118 W. Beugeling, N. Goldman, and C. Morais Smith

Percolation transition in quantum Ising and rotor models with sub-Ohmic dissipation (8 pages) ...... 075119 Manal Al-Ali, Jose´ A. Hoyos, and Thomas Vojta

Metal-insulator transition in Sr2−x Lax CoO4 driven by spin-state transition (4 pages) ...... 075120 Hua Wu Plasmon dispersion in layered transition-metal dichalcogenides (6 pages) ...... 075121 Pierluigi Cudazzo, Matteo Gatti, and Angel Rubio

Linear ramps of interaction in the fermionic Hubbard model (17 pages) ...... 075122 Matteo Sandri, Marco Schiro,´ and Michele Fabrizio Impact of the two Fe unit cell on the electronic structure measured by ARPES in iron pnictides (9 pages)...... 075123 V. Brouet, M. Fuglsang Jensen, Ping-Hui Lin, A. Taleb-Ibrahimi, P. Le Fevre,` F. Bertran, Chia-Hui Lin, Wei Ku, A. Forget, and D. Colson

Phenomenology of a semi-Dirac semi-Weyl semimetal (9 pages) ...... 075124 S. Banerjee and W. E. Pickett All-optical manipulation of light in X- and T-shaped photonic crystal waveguides with a nonlinear dipole defect (10 pages)...... 075125 Evgeny N. Bulgakov and Almas F. Sadreev

Finite-frequency magnetoelectric response of three-dimensional topological insulators (6 pages) ...... 075126 Adolfo G. Grushin and Fernando de Juan Photoconducting state and its perturbation by electrostatic ﬁelds in oxide-based two-dimensional electron gas (9 pages)...... 075127 A. Rastogi, J. J. Pulikkotil, S. Auluck, Z. Hossain, and R. C. Budhani Role of the lattice structure in determining the magnon-mediated interactions between charge carriers doped into a magnetically ordered background (15 pages) ...... 075128 Mirko Moller,¨ George A. Sawatzky, and Mona Berciu

(Continued)

The editors and referees of PRB ﬁnd these papers to be of particular interest, importance, or clarity. Please see our Announcement Phys. Rev. B 77, 130001 (2008). PERIODICALS PHYSICAL REVIEW BTM Postmaster send address changes to: For editorial and subscription correspondence, APS Subscription Services please see inside front cover Suite 1NO1 (ISSN: 1098-0121) 2 Huntington Quadrangle Melville, NY 11747-4502

THIRD SERIES, VOLUME 86, NUMBER 7 CONTENTS AUGUST 2012-15(I)

ARTICLES

Electronic structure and strongly correlated systems

Conserved charges of order-parameter textures in Dirac systems (5 pages) ...... 075101 Igor F. Herbut, Chi-Ken Lu, and Bitan Roy

Weak localization bulk state in a topological insulator Bi2Te3 ﬁlm (7 pages) ...... 075102 H. B. Zhang, H. L. Yu, D. H. Bao, S. W. Li, C. X. Wang, and G. W. Yang

Solving complex band structure problems with the FEAST eigenvalue algorithm (10 pages) ...... 075103 S. E. Laux

Electronic structure and Fermi surface of paramagnetic and antiferromagnetic UPt2Si2 (8 pages) ...... 075104 S. Elgazzar, J. Rusz, P. M. Oppeneer, and J. A. Mydosh

Momentum-dependent hybridization gap and dispersive in-gap state of the Kondo semiconductor SmB6 (4 pages) 075105 Hidetoshi Miyazaki, Tetsuya Hajiri, Takahiro Ito, Satoru Kunii, and Shin-ichi Kimura Thermodynamic singularities in the entanglement entropy at a two-dimensional quantum critical point (5 pages)...... 075106 Rajiv R. P. Singh, Roger G. Melko, and Jaan Oitmaa

Microwave spectroscopy of a Cooper pair beam splitter (12 pages) ...... 075107 Audrey Cottet

Metamagnetism and Lifshitz transitions in models for heavy fermions (8 pages) ...... 075108 M. Bercx and F. F. Assaad Partial node conﬁguration-interaction Monte Carlo as applied to the Fermi polaron (11 pages) ...... 075109 M. Kolodrubetz and B. K. Clark Absence of Wigner molecules in one-dimensional few-fermion systems with short-range interactions (5 pages) ...... 075110 Jing-Jing Wang, Wei Li, Shu Chen, Gao Xianlong, Massimo Rontani, and Marco Polini

Gapped spin-liquid phase in the J1-J2 Heisenberg model by a bosonic resonating valence-bond ansatz (7 pages) 075111 Tao Li, Federico Becca, Wenjun Hu, and Sandro Sorella

Electronically reconﬁgurable metal-on-silicon metamaterial (10 pages) ...... 075112 Yaroslav Urzhumov, Jae Seung Lee, Talmage Tyler, Sulochana Dhar, Vinh Nguyen, Nan M. Jokerst, Paul Schmalenberg, and David R. Smith

(Continued) 1098-0121(20120815)86:7;1-X The editors and referees of PRB ﬁnd these papers to be of particular interest, importance, or clarity. Please see our Announcement Phys. Rev. B 77, 130001 (2008).