Table of Contents (Print, Part 1)

CONTENTS - Continued

PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

1 Reply to “Comment on ‘Gapless spin liquid ground state of the spin- 2 J1-J2 Heisenberg model on square lattices’ ” (2 pages) ...... 157102 Wen-Yuan Liu, Shaojun Dong, Chao Wang, Yongjian Han, Hong An, Guang-Can Guo, and Lixin He

Comment on “Tuning topological surface states by cleavage angle in topological crystalline insulators” (4 pages) 157103 R. Buczko and P. Kacman

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Chiral Hall effect in the kink states in topological insulators with magnetic domain walls (5 pages) ...... 155420 M. Sedlmayr, N. Sedlmayr, J. Barnas,´ and V. K. Dugaev

Long-range and tunable RKKY interaction in the topological channel of gated bilayer graphene (10 pages) ...... 155421 Binyuan Zhang, Liwei Jiang, and Yisong Zheng

Nonlinear one-way edge-mode interactions for frequency mixing in topological photonic crystals (16 pages) .... 155422 Zhihao Lan, Jian Wei You, and Nicolae C. Panoiu

Domain wall motion in a diffusive weak ferromagnet (12 pages) ...... 155423 Faluke Aikebaier and Tero T. Heikkilä

Nanoscale probing of broken-symmetry states in graphene induced by individual atomic impurities (7 pages) . . . . 155424 Yu Zhang, Qi-Qi Guo, Si-Yu Li, and Lin He

Spin-valley polarized quantum anomalous Hall effect and a valley-controlled half-metal in bilayer graphene (6 pages) ...... 155425 Xuechao Zhai and Yaroslav M. Blanter

Stability, magnetic order, and electronic properties of ultrathin Fe3O4 nanosheets (8 pages) ...... 155426 Pär A. T. Olsson, Lindsay R. Merte, and Henrik Grönbeck

Theoretical prediction of low-energy Stone-Wales graphene with an intrinsic type-III Dirac cone (7 pages) ...... 155427 Zhenhao Gong, Xizhi Shi, Jin Li, Shifang Li, Chaoyu He, Tao Ouyang, Chunxiao Zhang, Chao Tang, and Jianxin Zhong

Thermal rectiﬁcation and spin-spin coupling of nonreciprocal localized and surface modes (11 pages) ...... 155428 Annika Ott and Svend-Age Biehs

Investigation of potassium-intercalated bulk MoS2 using transmission electron energy-loss spectroscopy (12 pages)...... 155429 Carsten Habenicht, Axel Lubk, Roman Schuster, Martin Knupfer, and Bernd Büchner

Ultrathin entirely ﬂat Umklapp lenses (9 pages) ...... 155430 Gregory J. Chaplain and Richard V. Craster

Strain dependence of second harmonic generation in transition metal dichalcogenide monolayers and the ﬁne structure of the C exciton (15 pages) ...... 155431 Kory Beach, Michael C. Lucking, and Humberto Terrones

Asymmetric spin transitions of nonthermalized Mn2+ ions in (Zn,Mn)Se-based quantum wells (6 pages) ...... 155432 D. Kudlacik, K. V. Kavokin, C. Lüders, K. Barthelmi, J. J. Schindler, H. Moldenhauer, P. Waldkirch, V. F. Sapega, D. R. Yakovlev, A. Waag, M. Bayer, and J. Debus

COMMENTS

1 Comment on “Gapless spin liquid ground state of the spin- 2 J1-J2 Heisenberg model on square lattices” (5 pages) 157101 Bowen Zhao, Jun Takahashi, and Anders W. Sandvik

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Pressure-induced gap modulation and topological transitions in twisted bilayer and twisted double bilayer graphene (10 pages) ...... 155405 Xianqing Lin, Haotian Zhu, and Jun Ni

Generalized input-output method to quantum transport junctions. I. General formulation (13 pages) ...... 155406 Junjie Liu and Dvira Segal

Generalized input-output method to quantum transport junctions. II. Applications (15 pages) ...... 155407 Junjie Liu and Dvira Segal

From quantized local Andreev reﬂection to perfect crossed Andreev reﬂection in topological insulator–superconductor hybrid systems (9 pages) ...... 155408 Miaomiao Wei, Min Zhou, Ying-Tao Zhang, and Yanxia Xing

Current cross-correlations and waiting time distributions in Andreev transport through Cooper pair splitters based on a triple quantum dot system (13 pages)...... 155409 Kacper Wrzesniewski´ and Ireneusz Weymann

Spin splitting with persistent spin textures induced by the line defect in the 1T phase of monolayer transition metal dichalcogenides (10 pages)...... 155410 Moh. Adhib Ulil Absor, Iman Santoso, Naoya Yamaguchi, and Fumiyuki Ishii

Lifting of spin blockade by charged impurities in Si-MOS double quantum dot devices (11 pages)...... 155411 Cameron King, Joshua S. Schoenﬁeld, M. J. Calderón, Belita Koiller, André Saraiva, Xuedong Hu, HongWen Jiang, Mark Friesen, and S. N. Coppersmith

Inﬂuence of nuclear spin polarization on the spin-echo signal of an NV-center qubit (13 pages) ...... 155412 Damian Kwiatkowski, Piotr Szankowski,´ and Łukasz Cywinski´

Metal-insulator transition and dominant d + id pairing symmetry in twisted bilayer graphene (6 pages) ...... 155413 Wanying Chen, Yonghuan Chu, Tongyun Huang, and Tianxing Ma

Spin-locked transport in a two-dimensional electron gas (7 pages) ...... 155414 S. Anghel, F. Passmann, K. J. Schiller, J. N. Moore, G. Yusa, T. Mano, T. Noda, M. Betz, and A. D. Bristow

Current-induced atomic motion, structural instabilities, and negative temperatures on molecule-electrode interfaces in electronic junctions (16 pages)...... 155415 Riley J. Preston, Vincent F. Kershaw, and Daniel S. Kosov

Tailored nanodiamonds for hyperpolarized 13C MRI (11 pages)...... 155416 T. Boele, D. E. J. Waddington, T. Gaebel, E. Rej, A. Hasija, L. J. Brown, D. R. McCamey, and D. J. Reilly

Electronic transport in one-dimensional Floquet topological insulators via topological and nontopological edge states (16 pages) ...... 155417 Niclas Müller, Dante M. Kennes, Jelena Klinovaja, Daniel Loss, and Herbert Schoeller

Boundary conformal spectrum and surface critical behavior of classical spin systems: A tensor network renormalization study (12 pages) ...... 155418 Shumpei Iino, Satoshi Morita, and Naoki Kawashima

Monolayer-gap modulated topological phases in twisted bilayer graphene (8 pages) ...... 155419 Jie Cao, Fenghua Qi, Hai Yang, and Guojun Jin

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Semiconductors II: surfaces, interfaces, microstructures, and related topics Robust implementation of quantum gates despite always-on exchange coupling in silicon double quantum dots (9 pages) ...... 155301 Utkan Güngördü and J. P. Kestner Interaction-induced crossover between weak antilocalization and weak localization in a disordered InAs/GaSb double quantum well (6 pages) ...... 155302 Vahid Sazgari, Gerard Sullivan, and Ismet˙ I.˙ Kaya Bound states in the continuum in symmetric and asymmetric photonic crystal slabs (12 pages) ...... 155303 Anton I. Ovcharenko, Cédric Blanchard, Jean-Paul Hugonin, and Christophe Sauvan Theory of the absorption line shape in monolayers of transition metal dichalcogenides (12 pages) ...... 155304 F. Lengers, T. Kuhn, and D. E. Reiter Autonomous chaos of exciton-polariton condensates (9 pages) ...... 155305 R. Ruiz-Sánchez, R. Rechtman, and Y. G. Rubo All-microwave holonomic control of an electron-nuclear two-qubit register in diamond (11 pages) ...... 155306 V. O. Shkolnikov, Roman Mauch, and Guido Burkard Electrical control of a spin qubit in InSb nanowire quantum dots: Strongly suppressed spin relaxation in high magnetic field (8 pages) ...... 155307 Suzana Miladic,´ Pavle Stipsic,´ Edib Dobardžic,´ and Marko Milivojevic´ Unification of nonequilibrium molecular dynamics and the mode-resolved phonon Boltzmann equation for thermal transport simulations (12 pages) ...... 155308 Yue Hu, Tianli Feng, Xiaokun Gu, Zheyong Fan, Xufeng Wang, Mark Lundstrom, Som S. Shrestha, and Hua Bao Spin-dependent transport through a Weyl semimetal surface (5 pages) ...... 155309 V. D. Esin, D. N. Borisenko, A. V. Timonina, N. N. Kolesnikov, and E. V. Deviatov Landau quantization of multilayer graphene on a Haldane sphere (6 pages) ...... 155310 Wei-Han Hsiao High-fidelity gate set for exchange-coupled singlet-triplet qubits (10 pages) ...... 155311 Pascal Cerfontaine, René Otten, M. A. Wolfe, Patrick Bethke, and Hendrik Bluhm Surface physics, nanoscale physics, low-dimensional systems Overcoming the bottleneck for quantum computations of complex nanophotonic structures: Purcell and Förster resonant energy transfer calculations using a rigorous mode-hybridization method (9 pages) ...... 155401 Gilles Rosolen, Bjorn Maes, Parry Yu Chen, and Yonatan Sivan Synchronization in optically trapped polariton Stuart-Landau networks (7 pages) ...... 155402 S. L. Harrison, H. Sigurdsson, and P. G. Lagoudakis Enhanced chiroptical activity with slotted high refractive index dielectric nanodisks (6 pages) ...... 155403 F. Reyes Gómez, Osvaldo N. Oliveira, Jr., Pablo Albella, and J. R. Mejía-Salazar Conductance of quantum spin Hall edge states from first principles: The critical role of magnetic impurities and inter-edge scattering (11 pages) ...... 155404 Luca Vannucci, Thomas Olsen, and Kristian S. Thygesen

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Toward the equilibrium ground state of the charge density waves in rare-earth tritellurides (5 pages) ...... 155144 A. V. Frolov, A. P. Orlov, A. Hadj-Azzem, P. Lejay, A. A. Sinchenko, and P. Monceau

Separable and entangled states in the high-spin XX central spin model (11 pages) ...... 155145 Ning Wu, Xi-Wen Guan, and Jon Links

Dependence of transport coefﬁcients of Yb(Rh1−xCox )2Si2 intermetallics on temperature and cobalt concentration (8 pages) ...... 155146 V. Zlatic´ and U. Stockert

Rich phase diagram of quantum phases in the anisotropic subohmic spin-boson model (8 pages) ...... 155147 Yan-Zhi Wang, Shu He, Liwei Duan, and Qing-Hu Chen

Interplay between local response and vertex divergences in many-fermion systems with on-site attraction (14 pages) ...... 155148 D. Springer, P. Chalupa, S. Ciuchi, G. Sangiovanni, and A. Toschi

Ferromagnetism and superconductivity in twisted double bilayer graphene (9 pages) ...... 155149 Fengcheng Wu and Sankar Das Sarma

Anomalous relaxation and multiple timescales in the quantum XY model with boundary dissipation (13 pages) . . . 155150 Shun-Yao Zhang, Ming Gong, Guang-Can Guo, and Zheng-Wei Zhou

Charge carrier transport with low-temperature anomalies in engineered 4d/5d oxide superlattices of (Sr2IrO4 )4/(Sr3Ru2O7)N (8 pages) ...... 155151 Hui Xu, Alexander J. Grutter, Zhangzhang Cui, Zhicheng Wang, Xiaofang Zhai, and Yalin Lu

Adiabatic ground state preparation in an expanding lattice (12 pages)...... 155152 Christopher T. Olund, Maxwell Block, Snir Gazit, John McGreevy, and Norman Y. Yao

Semiconductors I: bulk

Establishing best practices to model the electronic structure of CuFeO2 from ﬁrst principles (11 pages) ...... 155201 Matteo Ferri, Joshua Elliott, Stefano Fabris, and Simone Piccinin

Pressure-induced phase transitions in the topological crystalline insulator SnTe and its comparison with semiconducting SnSe: Raman and ﬁrst-principles studies (10 pages) ...... 155202 Sukanya Pal, Raagya Arora, Subhajit Roychowdhury, Luminita Harnagea, Kumar Saurabh, Sandhya Shenoy, D. V. S. Muthu, Kanishka Biswas, U. V. Waghmare, and A. K. Sood

Longitudinal spin relaxation model applied to point-defect qubit systems (16 pages)...... 155203 Viktor Ivády

Quantum kinetic theory of thermoelectric and thermal transport in a magnetic ﬁeld (17 pages) ...... 155204 Akihiko Sekine and Naoto Nagaosa

Stable single layer of Janus MoSO: Strong out-of-plane piezoelectricity (8 pages) ...... 155205 M. Yagmurcukardes and F. M. Peeters

Spin-orbit coupling effect on the thermopower and power factor of CoSbS (6 pages) ...... 155206 Raveena Gupta and Chandan Bera

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Resonant-state expansion for planar photonic crystal structures (20 pages) ...... 155128 Sam Neale and Egor A. Muljarov

Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric VO2 (9 pages) ...... 155129 P. Ganesh, Frank Lechermann, Ilkka Kylänpää, Jaron T. Krogel, Paul R. C. Kent, and Olle Heinonen

Axion coupling in the hybrid Wannier representation (26 pages) ...... 155130 Nicodemos Varnava, Ivo Souza, and David Vanderbilt

Quench dynamics of Hopf insulators (10 pages) ...... 155131 Haiping Hu, Chao Yang, and Erhai Zhao

Exciton-driven giant nonlinear overtone signals from buckled hexagonal monolayer GaAs (14 pages) ...... 155132 Himani Mishra and Sitangshu Bhattacharya

Second-order bulk-boundary correspondence in rotationally symmetric topological superconductors from stacked Dirac Hamiltonians (19 pages) ...... 155133 Elis Roberts, Jan Behrends, and Benjamin Béri

Efﬁcient simulation of open quantum systems coupled to a fermionic bath (20 pages)...... 155134 Alexander Nüßeler, Ish Dhand, Susana F. Huelga, and Martin B. Plenio

Landscape of coexisting excitonic states in the insulating single-layer cuprates and nickelates (10 pages) ...... 155135 Christopher Lane and Jian-Xin Zhu

Fermion-induced quantum critical point in the Landau-Devonshire model (9 pages) ...... 155136 Shuai Yin and Zhi-Yao Zuo

Polymorphous nature of cubic halide perovskites (19 pages) ...... 155137 Xin-Gang Zhao, Gustavo M. Dalpian, Zhi Wang, and Alex Zunger

Evidence for ferromagnetic order in the CoSb layer of LaCoSb2 (9 pages) ...... 155138 Muyuan Zou, Jianan Chu, Hui Zhang, Tianzhong Yuan, Peng Cheng, Wentao Jin, Da Jiang, Xuguang Xu, Wenjie Yu, Zhenghua An, Xinyuan Wei, Gang Mu, and Wei Li

First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure (6 pages) . . . . . 155139 Jian-Feng Zhang, Peng-Jie Guo, Miao Gao, Kai Liu, and Zhong-Yi Lu

Charge density wave like behavior with magnetic ordering in orthorhombic Sm2Ru3Ge5 (7 pages) ...... 155140 C. N. Kuo, C. J. Hsu, C. W. Tseng, W. T. Chen, S. Y. Lin, W. Z. Liu, Y. K. Kuo, and C. S. Lue

Gapped Z2 spin liquid in the breathing kagome Heisenberg antiferromagnet (13 pages) ...... 155141 Mohsin Iqbal, Didier Poilblanc, and Norbert Schuch

Hybridization between the ligand p band and Fe-3d orbitals in the p-type ferromagnetic semiconductor (Ga,Fe)Sb (7 pages) ...... 155142 Takahito Takeda, Masahiro Suzuki, Le Duc Anh, Nguyen Thanh Tu, Thorsten Schmitt, Satoshi Yoshida, Masato Sakano, Kyoko Ishizaka, Yukiharu Takeda, Shin-ichi Fijimori, Munetoshi Seki, Hitoshi Tabata, Atsushi Fujimori, Vladimir N. Strocov, Masaaki Tanaka, and Masaki Kobayashi

Weyl semimetals with S4 symmetry (9 pages) ...... 155143 Yuting Qian, Jiacheng Gao, Zhida Song, Simin Nie, Zhijun Wang, Hongming Weng, and Zhong Fang

(Continued)

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PHYSICAL REVIEW B THIRD SERIES, VOLUME 101, NUMBER 15 APRIL 2020-15(I)

Magnetic phase transitions in quantum spin-orbital liquids (7 pages) ...... 155112 Shi Feng, Niravkumar D. Patel, Panjin Kim, Jung Hoon Han, and Nandini Trivedi

Global anomaly matching in the higher-dimensional CPN−1 model (17 pages) ...... 155113 Takuya Furusawa and Masaru Hongo

Direct observation of sixfold exotic fermions in the pyrite-structured topological semimetal PdSb2 (6 pages) . . . . . 155114 Z. P. Sun, C. Q. Hua, X. L. Liu, Z. T. Liu, M. Ye, S. Qiao, Z. H. Liu, J. S. Liu, Y. F. Guo, Y. H. Lu, and D. W. Shen

Partial bosonization for the two-dimensional Hubbard model (16 pages) ...... 155115 Tobias Denz, Mario Mitter, Jan M. Pawlowski, Christof Wetterich, and Masatoshi Yamada

Electronic transport through correlated electron systems with nonhomogeneous charge orderings (16 pages) . . . . . 155116 Rudolf Smorka, Martin Žonda, and Michael Thoss

Bulk Fermi surface of the layered superconductor TaSe3 with three-dimensional strong topological state (7 pages) 155117 Wei Xia, Xianbiao Shi, Yong Zhang, Hao Su, Qin Wang, Linchao Ding, Leiming Chen, Xia Wang, Zhiqiang Zou, Na Yu, Li Pi, Yufeng Hao, Bin Li, Zengwei Zhu, Weiwei Zhao, Xufeng Kou, and Yanfeng Guo

Multipolar magnetism in d-orbital systems: Crystal ﬁeld levels, octupolar order, and orbital loop currents (8 pages) ...... 155118 Sreekar Voleti, D. D. Maharaj, B. D. Gaulin, Graeme Luke, and A. Paramekanti

Spin dynamics in antiferromagnetic oxypnictides and ﬂuoropnictides: LaMnAsO, LaMnSbO, and BaMnAsF (8 pages) ...... 155119 Farhan Islam, Elijah Gordon, Pinaki Das, Yong Liu, Liqin Ke, Douglas L. Abernathy, Robert J. McQueeney, and David Vaknin

Bound states in two-dimensional Fermi systems with quadratic band touching (9 pages) ...... 155120 Flávio L. N. Santos, Mônica A. Caracanhas, M. C. O. Aguiar, and Rodrigo G. Pereira

Criticality of Dirac fermions in the presence of emergent gauge ﬁelds (14 pages)...... 155121 Elliot Christou, Fernado de Juan, and Frank Krüger

Quantum entanglement in the t-J chain: From charge-spin separation to recombination (7 pages) ...... 155122 Wayne Zheng and Zheng-Yu Weng

Critical supercurrent and ϕ0 state for probing a persistent spin helix (16 pages) ...... 155123 Mohammad Alidoust

Exactly solvable model for a 4+1D beyond-cohomology symmetry-protected topological phase (25 pages)...... 155124 Lukasz Fidkowski, Jeongwan Haah, and Matthew B. Hastings

High-ﬁeld ultrasonic study of quadrupole ordering and crystal symmetry breaking in CeRhIn5 (8 pages) ...... 155125 R. Kurihara, A. Miyake, M. Tokunaga, Y. Hirose, and R. Settai

Magnetic ﬂuctuations and superconducting pairing in -iron (9 pages) ...... 155126 A. S. Belozerov, A. A. Katanin, V. Yu. Irkhin, and V. I. Anisimov

Optical excitations in compressible and incompressible two-dimensional electron liquids (11 pages) ...... 155127 Tobias Graß, Ovidiu Cotlet, Atac Imamo˙ glu,˘ and Mohammad Hafezi

(Continued)

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THIRD SERIES, VOLUME 101, NUMBER 15 CONTENTS APRIL 2020-15(I)

ARTICLES

Electronic structure and strongly correlated systems

Doping-induced disorder and conductivity anisotropy in the spin density wave state of iron pnictides (7 pages) . . . 155101 Dheeraj Kumar Singh and Yunkyu Bang

Deﬁning the topological inﬂuencers and predictive principles to engineer the band structure of halide perovskites (15 pages) ...... 155102 Ravi Kashikar, Mayank Gupta, and B. R. K. Nanda

Nuclear spin relaxation rate near the disorder-driven quantum critical point in Weyl fermion systems (14 pages) ...... 155103 Tomoki Hirosawa, Hideaki Maebashi, and Masao Ogata

Truncated unity parquet solver (17 pages) ...... 155104 Christian J. Eckhardt, Carsten Honerkamp, Karsten Held, and Anna Kauch

Tensor network approach to two-dimensional bosonization (28 pages) ...... 155105 Sujeet K. Shukla, Tyler D. Ellison, and Lukasz Fidkowski

Speeding up ab initio diffusion Monte Carlo simulations by a smart lattice regularization (12 pages) ...... 155106 Kousuke Nakano, Ryo Maezono, and Sandro Sorella

Ab initio phonon self-energies and ﬂuctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides (14 pages) ...... 155107 Jan Berges, Erik G. C. P. van Loon, Arne Schobert, Malte Rösner, and Tim O. Wehling

Unique Dirac and triple point fermiology in simple transition metals and their binary alloys (6 pages)...... 155108 Chiranjit Mondal, Chanchal K. Barman, Shuvam Sarkar, Sudipta Roy Barman, Aftab Alam, and Biswarup Pathak

Comprehensive surface magnetotransport study of SmB6 (15 pages) ...... 155109 Y. S. Eo, S. Wolgast, A. Rakoski, D. Mihaliov, B. Y. Kang, M. S. Song, B. K. Cho, M. Ciomaga Hatnean, G. Balakrishnan, Z. Fisk, S. R. Saha, X. Wang, J. Paglione, and Ç. Kurdak

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr2IrO4 (10 pages) ...... 155110 Christopher Lane, Yubo Zhang, James W. Furness, Robert S. Markiewicz, Bernardo Barbiellini, Jianwei Sun, and Arun Bansil

Weak localization in 1T -TiSe2 microﬂakes (6 pages) ...... 155111 Zhaoguo Li, Jicheng Zhang, Minjie Zhou, Yong Zeng, Daojian Qi, and Jia Li

(Continued) 2469-9950(20200415)101:15;1-F 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).