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HIGHLIGHTED ARTICLES

Quantum geometry in the NbSe2 family: Obstructed compact Wannier function and perturbation theory

Jiabin Yu, Yi Jiang, Yuanfeng Xu, Dumitru Călugăru, Haoyu Hu, Haojie Guo, Sandra Sajan, Yongsong Wang, Miguel M. Ugeda, Fernando De Juan, and B. Andrei Bernevig

Phys. Rev. B 114, 125104 (2026) - Published 7 August, 2026

Here, the authors reveal that monolayer NbSe2 and related transition metal dichalcogenides host obstructed atomic bands near the Fermi level. By constructing ab initio six-, three-, and single-band Wannier models, they identify remarkably compact obstructed Wannier functions and an unusual dominance of next-nearest-neighbor hopping. These results provide a transparent low-energy framework for investigating how quantum geometry shapes charge order, electron–phonon coupling, and superconductivity in NbSe2.

Molecular reference corrections for quantum Monte Carlo adsorption energies

Roman Fanta and Michal Bajdich

Phys. Rev. B 114, 125107 (2026) - Published 12 August, 2026

Here, the authors show that quantum Monte Carlo adsorption energies can inherit a distinct error from the gas-phase molecules used as references. They introduce a hybrid thermodynamic cycle that retains quantum Monte Carlo for molecule–surface binding while using coupled-cluster benchmarks for molecular formation. Applications to oxygenated intermediates on Pt(111) and carbon-containing intermediates on Cu(111) reveal chemically specific corrections and provide a practical route to more balanced surface thermochemistry.

Multichannel Dyson equation for double ionization spectroscopies

Pierre Sellié, J. Arjan Berger, and Pina Romaniello

Phys. Rev. B 114, 125117 (2026) - Published 19 August, 2026

Here, the authors propose a new first-principles method for describing double-ionization spectroscopies. By coupling the particle-particle two-body Green’s function with the three- electron–one-hole and three-hole–one-electron channels of the four-body Green’s function, the approach captures both quasiparticle and satellite features that can appear, for example, in Auger spectroscopy. The method relies on the multichannel Dyson equation, which couples multiple Green’s functions through a multichannel self-energy. Importantly, approximations to the self-energy can be made static while still reproducing satellite features.

Tensor network methods for bound electron-hole complexes beyond strong and weak confinement in nanoplatelets

Bruno Hausmann and Marten Richter

Phys. Rev. B 114, 125310 (2026) - Published 20 August, 2026

Some nanoplatelets — flat, rectangular, colloidally-grown, semiconductor nanostructures — lie in an intermediate confinement regime, where common strong and weak confinement wave function factorizations fail. However, solving the full Schrödinger equation is computationally demanding or infeasible for electron-hole complexes that require four (exciton), six (trion), or eight (biexciton) dimensions. Here, the authors invent tensor network methods to retrieve the unfactorized high-dimensional ground and excited exciton and trion states, including their oscillator strength, and low-dimensional wave function projections.

Confinement-dependent exciton and biexciton dynamics in bright band-gap-emitting AgInS2 quantum dots

Julian G. Mann, Johannes Kunze, Nivedita Pan, Ekaterina Kostyurina, Markus Döblinger, Bert Nickel, Jochen Feldmann, and Sushant Ghimire

Phys. Rev. B 114, 125420 (2026) - Published 26 August, 2026

Here, the authors uncover size-dependent exciton formation and biexciton dynamics in AgInS2 quantum dots, an environmentally friendly I-III-VI semiconductor alternative. Exciton formation proceeds through phonon-mediated inter-valence-band hole relaxation. This process becomes progressively slower with decreasing quantum dot size, in contrast to the Coulomb-mediated relaxation characteristic of II-VI quantum dots. These dynamics govern the emergence of distinct exciton-to-biexciton transitions. The biexciton lifetime increases with crystallite size, with the largest quantum dots exhibiting partial biexciton emission.

ARTICLES

Electronic structure and strongly correlated systems

Unidirectional-like edge transport induced by non-Hermitian skin effects

Junyi Rao, Jinting Ding, Qinghua Guo, Jun He, and Xiang Ni

Phys. Rev. B 114, 125101 (2026) - Published 3 August, 2026

Lattice field theory analysis of the chiral Heisenberg model

Simon Hands and Johann Ostmeyer

Phys. Rev. B 114, 125102 (2026) - Published 5 August, 2026

Localized oxygen states and Schottky barrier height in oxides

Inhwan Kim, Sohm Apte, Hanran Jin, and Alexander A. Demkov

Phys. Rev. B 114, 125103 (2026) - Published 6 August, 2026

Quantum geometry in the NbSe2 family: Obstructed compact Wannier function and perturbation theory

Jiabin Yu, Yi Jiang, Yuanfeng Xu, Dumitru Călugăru, Haoyu Hu, Haojie Guo, Sandra Sajan, Yongsong Wang, Miguel M. Ugeda, Fernando De Juan, and B. Andrei Bernevig

Phys. Rev. B 114, 125104 (2026) - Published 7 August, 2026

Here, the authors reveal that monolayer NbSe2 and related transition metal dichalcogenides host obstructed atomic bands near the Fermi level. By constructing ab initio six-, three-, and single-band Wannier models, they identify remarkably compact obstructed Wannier functions and an unusual dominance of next-nearest-neighbor hopping. These results provide a transparent low-energy framework for investigating how quantum geometry shapes charge order, electron–phonon coupling, and superconductivity in NbSe2.

Compact localized currents in flat bands with broken time-reversal symmetry

Rohit Kishan Ray, Carlo Danieli, Alexei Andreanov, and Sergej Flach

Phys. Rev. B 114, 125105 (2026) - Published 10 August, 2026

Refining heuristic predictors of fractional Chern insulators using machine learning

Oriol Mayné i Comas, André Grossi Fonseca, Sachin Vaidya, and Marin Soljačić

Phys. Rev. B 114, 125106 (2026) - Published 11 August, 2026

Molecular reference corrections for quantum Monte Carlo adsorption energies

Roman Fanta and Michal Bajdich

Phys. Rev. B 114, 125107 (2026) - Published 12 August, 2026

Here, the authors show that quantum Monte Carlo adsorption energies can inherit a distinct error from the gas-phase molecules used as references. They introduce a hybrid thermodynamic cycle that retains quantum Monte Carlo for molecule–surface binding while using coupled-cluster benchmarks for molecular formation. Applications to oxygenated intermediates on Pt(111) and carbon-containing intermediates on Cu(111) reveal chemically specific corrections and provide a practical route to more balanced surface thermochemistry.

Spin-orbit coupling renormalization of the natural optical activity of Pb5Ge3O11 from first principles

Asier Zabalo, Massimiliano Stengel, and Eric Bousquet

Phys. Rev. B 114, 125108 (2026) - Published 12 August, 2026

Measurement-induced asymmetric entanglement in a deconfined quantum critical ground state

K. G. S. H. Gunawardana

Phys. Rev. B 114, 125109 (2026) - Published 12 August, 2026

Phase transitions in coupled Ising chains and SO(N)-symmetric spin chains

Yohei Fuji, Sylvain Capponi, Lukas Devos, and Philippe Lecheminant

Phys. Rev. B 114, 125110 (2026) - Published 17 August, 2026

Tunable collinear altermagnets induced by Floquet engineering in A-type sliding antiferromagnetic bilayers

Zhe Li, Lijuan Li, Da-Shuai Ma, Mengxue Guan, Rui Wang, and Sheng Meng

Phys. Rev. B 114, 125111 (2026) - Published 17 August, 2026

Non-Abelian Fibonacci quantum Hall states in tetralayer rhombohedral graphene

Abigail Timmel and Xiao-Gang Wen

Phys. Rev. B 114, 125112 (2026) - Published 17 August, 2026

Enantiomeric pairs of chiral topological quasiparticles in chiral space groups

Ruixi Pu, Keqi Guan, Houhao Wang, Dongze Fan, Liangliang Huang, Xiangang Wan, and Feng Tang

Phys. Rev. B 114, 125113 (2026) - Published 17 August, 2026

Finite-temperature study of the Hubbard model via enhanced exponential tensor renormalization group

Changkai Zhang (张昌凯) and Jan von Delft

Phys. Rev. B 114, 125114 (2026) - Published 18 August, 2026

Superconducting diode effect in unconventional p-wave magnets

Igor de M. Froldi and Hermann Freire

Phys. Rev. B 114, 125115 (2026) - Published 18 August, 2026

Universal symmetries in twisted moiré materials

Mohammed M. Al Ezzi, Albert Zhu, Daniel Bennett, Daniel T. Larson, and Efthimios Kaxiras

Phys. Rev. B 114, 125116 (2026) - Published 18 August, 2026

Multichannel Dyson equation for double ionization spectroscopies

Pierre Sellié, J. Arjan Berger, and Pina Romaniello

Phys. Rev. B 114, 125117 (2026) - Published 19 August, 2026

Here, the authors propose a new first-principles method for describing double-ionization spectroscopies. By coupling the particle-particle two-body Green’s function with the three- electron–one-hole and three-hole–one-electron channels of the four-body Green’s function, the approach captures both quasiparticle and satellite features that can appear, for example, in Auger spectroscopy. The method relies on the multichannel Dyson equation, which couples multiple Green’s functions through a multichannel self-energy. Importantly, approximations to the self-energy can be made static while still reproducing satellite features.

Pressure-induced emergent phases in pyrochlore iridate Eu2Ir2O7 film

Mingyu Yang, Jianping Sun, Zhaoqing Ding, Zeguo Lin, Xiongfei Shi, Xiaoran Liu, Jinguang Cheng, and Jiandong Guo

Phys. Rev. B 114, 125118 (2026) - Published 19 August, 2026

Boundary and symmetry breaking in a deformed toric code

Rodrigo Corso

Phys. Rev. B 114, 125119 (2026) - Published 19 August, 2026

Designing explicit functionals for the charge density in terms of a potential

Muhammed H. Güneş, Ayoub Aouina, Vitaly Gorelov, Matteo Gatti, and Lucia Reining

Phys. Rev. B 114, 125120 (2026) - Published 20 August, 2026

From densities to potentials: Benchmarking local exchange-correlation approximations

Visagan Ravindran, Clio Johnson, Neil D. Drummond, Stewart J. Clark, and Nikitas I. Gidopoulos

Phys. Rev. B 114, 125121 (2026) - Published 21 August, 2026

Phonon-driven tuning of exchange interactions in Y3Fe5O12

Kunihiko Yamauchi and Tamio Oguchi

Phys. Rev. B 114, 125122 (2026) - Published 21 August, 2026

Thermal Hall conductivity from semiclassical spin dynamics simulations: Implementation and applications to chiral ferromagnets and Kitaev magnets

Ignacio Salgado-Linares, Alexander Mook, Léo Mangeolle, and Johannes Knolle

Phys. Rev. B 114, 125123 (2026) - Published 21 August, 2026

Quantum Otto heat engine with a Kitaev-Heisenberg cluster: Possible roles of frustration, magnons, and duality

Sheikh Moonsun Pervez and Saptarshi Mandal

Phys. Rev. B 114, 125124 (2026) - Published 24 August, 2026

Hall plateau and spin splitting effect in TaCo2Te2

Bowen Chen, Enkui Yi, Chunjiang Gong, Bin Wang, Zhihao Liu, Ming Yang, Quansheng Wu, Meng Wang, and Bing Shen

Phys. Rev. B 114, 125125 (2026) - Published 24 August, 2026

Tractable model for a fractionalized Fermi liquid on a square lattice

Piers Coleman, Elio J. König, Aaditya Panigrahi, and Alexei Tsvelik

Phys. Rev. B 114, 125126 (2026) - Published 24 August, 2026

Thermodynamics and dynamics near a ferromagnetic quantum critical point

Xing-Can Liu, Yuan-Yao He, Tao Ying, and Xueru Zhang

Phys. Rev. B 114, 125127 (2026) - Published 24 August, 2026

Tunneling signatures of interband coherence in dilute exciton condensates

Kryštof Kolář and Felix von Oppen

Phys. Rev. B 114, 125128 (2026) - Published 24 August, 2026

Magnetization-dependent and stacking-tunable Edelstein effect in the two-dimensional magnet 2HVTe2

Weiyi Pan and Jaroslav Fabian

Phys. Rev. B 114, 125129 (2026) - Published 24 August, 2026

Double-exchange Chern bands on field-selected triangular spin crystals: Net-flux versus zero-net-flux classes

Bin Xi, Jie Lu, Shun-Li Yu, and Yafang Xu

Phys. Rev. B 114, 125130 (2026) - Published 25 August, 2026

Transient photoexcited state of the small-gap quasi-two-dimensional Mott-Hubbard insulator Sn/Si(111)(3×3)R30

G. M. Pierantozzi, S. Modesti, M. Perlangeli, R. Cucini, S. Fiori, F. Salvador, G. Rossi, and G. Panaccione

Phys. Rev. B 114, 125131 (2026) - Published 25 August, 2026

Polarization engineering of the orbital Hall conductivity in the two-dimensional ferroelectric higher-order topological insulators Tl2S and SnS

Yingjie Hu, Heng Gao, Yabei Wu, and Wei Ren

Phys. Rev. B 114, 125132 (2026) - Published 26 August, 2026

Inducing a metal-insulator transition via disorder in correlated kagome systems

Qingzhuo Duan, Hongdao Zhuge, Zixuan Jia, and Tianxing Ma

Phys. Rev. B 114, 125133 (2026) - Published 27 August, 2026

Krylov complexity and fidelity susceptibility in two-band Hamiltonians

Rishav Chaudhuri, Ayush Raj, Soham Ray, and Sai Satyam Samal

Phys. Rev. B 114, 125134 (2026) - Published 27 August, 2026

Tunable quantum Mpemba effect in long-range interacting systems

Andrew Hallam, Matthew Yusuf, Aashish A. Clerk, Ivar Martin, and Zlatko Papić

Phys. Rev. B 114, 125135 (2026) - Published 28 August, 2026

Suppression of the non-Hermitian skin effect by pseudomagnetic fields in a honeycomb lattice

Kai Shao and Kun Luo

Phys. Rev. B 114, 125136 (2026) - Published 28 August, 2026

Coupled Majorana modes in a dual vortex of the Kitaev honeycomb model

Surajit Basak and Jean-Noël Fuchs

Phys. Rev. B 114, 125137 (2026) - Published 31 August, 2026

Magnetic instabilities in three- and higher-dimensional Hubbard models with different lattice geometries: Impact of nonlocal spatial correlations

Marvin Leusch, Alessandro Toschi, Andreas Hausoel, Giorgio Sangiovanni, and Georg Rohringer

Phys. Rev. B 114, 125138 (2026) - Published 31 August, 2026

Semiconductors I: bulk

Dopant-species-dependent quantum interference and spin-orbit coupling in n-type silicon hyperdoped with group-V dopants

Weiyan Li, Yuling Jiang, Moritz Hoesch, R. Heller, U. Kentsch, Shengqiang Zhou, and Mao Wang

Phys. Rev. B 114, 125201 (2026) - Published 17 August, 2026

Multiphoton schemes for midinfrared detection: Comparative study of bulk GaAs and Ge1xSnx

Alistair H. Duff and J. E. Sipe

Phys. Rev. B 114, 125202 (2026) - Published 21 August, 2026

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

Phonon circular birefringence and polarization filter in magnetic topological insulators

Abhinava Chatterjee and Chao-Xing Liu

Phys. Rev. B 114, 125301 (2026) - Published 3 August, 2026

Optimization of path-integral tensor-multiplication schemes for open quantum systems

L. M. J. Hall, A. Gisdakis, and E. A. Muljarov

Phys. Rev. B 114, 125302 (2026) - Published 4 August, 2026

Universal dark-selective control in stationary bright-dark exciton condensates

Yingda Chen, Wen-Kai Lou, Yongyong Cai, Yibo Han, and Kai Chang

Phys. Rev. B 114, 125303 (2026) - Published 7 August, 2026

Amplitudes of Hall field-induced resistance oscillations with a two-harmonic density of states

Miguel Tierz

Phys. Rev. B 114, 125304 (2026) - Published 10 August, 2026

Existence of topological degeneracies and half vortices in layered anisotropic continuous media

Zhenchen Ruan, Wen Xiao, Huanyang Chen, and Ying Chen

Phys. Rev. B 114, 125305 (2026) - Published 10 August, 2026

Depth-dependent charge-state instability of nitrogen-vacancy centers in ion-implanted diamond

Chong Li, Yang Li, Mingchao Li, Doudou Zheng, Chenchen Tang, Jian Gao, Xin Li, Hao Guo, Zhonghao Li, Jun Tang, HuanFei Wen, Zongmin Ma, and Jun Liu

Phys. Rev. B 114, 125306 (2026) - Published 11 August, 2026

Non-Hermitian strong coupling of pure multipolar resonances and excitons in core-shell heterostructures

Shuanglong Cheng, Tao Jiang, Meng Wang, Peijie Wang, and Ze Li

Phys. Rev. B 114, 125307 (2026) - Published 12 August, 2026

Nonlinear Hall responses in tunable nodal Dirac semimetals

Akash Dey

Phys. Rev. B 114, 125308 (2026) - Published 12 August, 2026

Topological constraints on second-harmonic generation in essentially noncentric insulators: A two-band model study

Yaomin Ren, Xiyue Cheng, Hanxiang Mi, and Shuiquan Deng

Phys. Rev. B 114, 125309 (2026) - Published 17 August, 2026

Tensor network methods for bound electron-hole complexes beyond strong and weak confinement in nanoplatelets

Bruno Hausmann and Marten Richter

Phys. Rev. B 114, 125310 (2026) - Published 20 August, 2026

Some nanoplatelets — flat, rectangular, colloidally-grown, semiconductor nanostructures — lie in an intermediate confinement regime, where common strong and weak confinement wave function factorizations fail. However, solving the full Schrödinger equation is computationally demanding or infeasible for electron-hole complexes that require four (exciton), six (trion), or eight (biexciton) dimensions. Here, the authors invent tensor network methods to retrieve the unfactorized high-dimensional ground and excited exciton and trion states, including their oscillator strength, and low-dimensional wave function projections.

Surface physics, nanoscale physics, low-dimensional systems

Towards quantum thermotronic circuits: A biasing scheme for quantum thermal transistors with quantum thermal links

Uthpala N. Ekanayake, Sarath D. Gunapala, and Malin Premaratne

Phys. Rev. B 114, 125401 (2026) - Published 3 August, 2026

Comparative study of perturbative and nonequilibrium Green's function approaches for Floquet sidebands in periodically driven quantum systems

Karun Gadge, Marco Merboldt, Michael Schüler, Jan Philipp Bange, Wiebke Bennecke, Michael A. Sentef, Marcel Reutzel, Stefan Mathias, and Salvatore R. Manmana

Phys. Rev. B 114, 125402 (2026) - Published 3 August, 2026

Floquet-Rashba spin interferometer: Highly sensitive all-optical control of resonant transport via strong light-matter coupling

R. G. Nazmitdinov, M. Pudlak, and N. D. Tung

Phys. Rev. B 114, 125404 (2026) - Published 3 August, 2026

Limits of thermal conductance quantization in chiral topological Josephson junctions

Daniel Gresta, Fernando Dominguez, Florian Goth, Raffael L. Klees, Laurens W. Molenkamp, and Ewelina M. Hankiewicz

Phys. Rev. B 114, 125405 (2026) - Published 4 August, 2026

Bound states in the continuum enabled all-dielectric metasurfaces towards deep-nanoscale terahertz molecular fingerprinting

Jie Wang, Xiao Wang, Maoxiong Zhao, Hongwei Zhao, Min Chen, and Haixiao Deng

Phys. Rev. B 114, 125406 (2026) - Published 6 August, 2026

Synergy of Rashba splitting and topological band inversion effects in Janus Bi2X2Y(X,Y=Se,Te) tetradymite thermoelectrics

Lei Peng, Ruixiao Lian, Xiaole Tian, Hongyu Chen, Ben Li, Yu Wu, Yuxiang Zheng, and Hao Zhang

Phys. Rev. B 114, 125407 (2026) - Published 10 August, 2026

Random fine structure and polarized luminescence of triplet excitons in semiconductor nanocrystals

D. S. Smirnov and E. L. Ivchenko

Phys. Rev. B 114, 125408 (2026) - Published 10 August, 2026

Emergent nonlocal interactions induced by quantized gauge fields in topological systems

Adel Ali and Alexey Belyanin

Phys. Rev. B 114, 125409 (2026) - Published 10 August, 2026

Ferroelectricity-driven antiferromagnetism in a Ti-intercalated NbS2 bilayer

Zhenqi Wang, Jintao Jiang, Ziyang Qu, Fang Wu, Yi Wan, Ang Li, Haiping Wu, Erjun Kan, and Chengxi Huang

Phys. Rev. B 114, 125410 (2026) - Published 12 August, 2026

Exploring nontrivial band structure, Berry curvature, spin polarizations, and spin currents in d-wave altermagnets tailored by anisotropic optical fields

Andrii Iurov, Liubov Zhemchuzhna, and Tiyhearah Danner-Jackson

Phys. Rev. B 114, 125411 (2026) - Published 14 August, 2026

Charge density waves and stripes in quarter metals of graphene heterostructures

Sk Asrap Murshed and Bitan Roy

Phys. Rev. B 114, 125412 (2026) - Published 14 August, 2026

Time-evolving matrix product operators for off-diagonal system-bath coupling

Chu Guo, Wei Wu, Xiansong Xu, Tian Jiang, Ping-Xing Chen, and Ruofan Chen

Phys. Rev. B 114, 125413 (2026) - Published 14 August, 2026

Second harmonic study of thermally oxidized mono- and few-layer 2HMoS2

Katharina Burgholzer, Henry Hübschmann, Gerhard Berth, Adriana Bocchini, Uwe Gerstmann, Wolf Gero Schmidt, Rajdeep Adhikari, Klaus D. Jöns, and Alberta Bonanni

Phys. Rev. B 114, 125414 (2026) - Published 17 August, 2026

Periodic charge transfer in pure carbon-based two-dimensional heterojunctions of graphene and the quasihexagonal phase of C60

Yi Ren, Shan Dong, Zheng Vitto Han, Wen-Kai Lou, and Kai Chang

Phys. Rev. B 114, 125415 (2026) - Published 17 August, 2026

Analytical treatment of noise-suppressed Klein tunneling in graphene with possible implications for quantum-dot qubits

Kamal Azaidaoui, Ahmed Jellal, Hocine Bahlouli, A. Al Luhaibi, and Michael Vogl

Phys. Rev. B 114, 125416 (2026) - Published 18 August, 2026

Nonlocal transport phenomena in coupled quasiperiodic Kitaev chains

Koki Mizuno

Phys. Rev. B 114, 125419 (2026) - Published 24 August, 2026

Confinement-dependent exciton and biexciton dynamics in bright band-gap-emitting AgInS2 quantum dots

Julian G. Mann, Johannes Kunze, Nivedita Pan, Ekaterina Kostyurina, Markus Döblinger, Bert Nickel, Jochen Feldmann, and Sushant Ghimire

Phys. Rev. B 114, 125420 (2026) - Published 26 August, 2026

Here, the authors uncover size-dependent exciton formation and biexciton dynamics in AgInS2 quantum dots, an environmentally friendly I-III-VI semiconductor alternative. Exciton formation proceeds through phonon-mediated inter-valence-band hole relaxation. This process becomes progressively slower with decreasing quantum dot size, in contrast to the Coulomb-mediated relaxation characteristic of II-VI quantum dots. These dynamics govern the emergence of distinct exciton-to-biexciton transitions. The biexciton lifetime increases with crystallite size, with the largest quantum dots exhibiting partial biexciton emission.

Gold-adatom-assisted cyclodehydrogenation during the formation of graphene nanoribbons on the Au(111) surface

Li Ping Ding, Peng Shao, and Feng Ding

Phys. Rev. B 114, 125421 (2026) - Published 26 August, 2026

Energy renormalizations of resident carriers and excitons in transition metal dichalcogenide monolayers

Dinh Van Tuan, Junghwan Kim, and Hanan Dery

Phys. Rev. B 114, 125422 (2026) - Published 27 August, 2026

Inductive van der Waals force between two quantum loops

Kicheon Kang

Phys. Rev. B 114, 125423 (2026) - Published 28 August, 2026

Photon counting beyond the rotating-wave approximation

Steven Kim and Fabian Hassler

Phys. Rev. B 114, 125424 (2026) - Published 31 August, 2026

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