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Physical Review B - April 2023

Physical Review B

covering condensed matter and materials physics
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Volume 107, Issues 13 - 16

April 2023
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Highlights

Editors' Suggestion
Pressure-induced charge-transfer and structural transition in hexagonal multiferroic HoMnO3
Martin Ottesen, Emma Ehrenreich-Petersen, Camilla Hjort Kronbo, François Baudelet, Lucie Nataf, Innokenty Kantor, Mads Ry Vogel Jørgensen, and Martin Bremholm
Phys. Rev. B 107, 134115 (2023) – Published 25 April 2023

The improper ferroelectricity and frustrated magnetism observed in hexagonal rare-earth manganites are tied to Mn trimerization in the basal plane. Multiferroic properties interplay via the lattice leading to complex structural behavior with temperature and pressure. Applying hydrostatic pressure to hexagonal HoMnO3 induces a phase transition to a rhombohedrally distorted superstructure, accompanied by disproportionation of Mn(III) and compressibility of the basal plane. These findings reveal new insights into multiferroic manganites under extreme conditions, highlighting the complicated interactions between their properties.

Editors' Suggestion
Accumulation of scale-free localized states induced by local non-Hermiticity
Cui-Xian Guo, Xueliang Wang, Haiping Hu, and Shu Chen
Phys. Rev. B 107, 134121 (2023) – Published 28 April 2023

Systems with local non-Hermiticity are beyond the scope of both Bloch and non-Bloch band descriptions. Here, the authors establish a new paradigm for such systems: the emergence of scale-free localized states induced by local non-Hermiticity. They demonstrate that the scale-free localization is a generic phenomenon, regardless of the parity-time symmetry, the eigenstates' coalescence, or even the incommensurate disorder. The results also indicate that the bulk properties of the original Hermitian systems can be globally reshaped by local non-Hermiticity.

Editors' Suggestion
Neutron scattering sum rules, symmetric exchanges, and helicoidal magnetism in MnSb2O6
E. Chan, H. Lane, J. Pásztorová, M. Songvilay, R. D. Johnson, R. Downie, J-W. G. Bos, J. A. Rodriguez-Rivera, S.-W. Cheong, R. A. Ewings, N. Qureshi, and C. Stock
Phys. Rev. B 107, 144420 (2023) – Published 13 April 2023

MnSb2O6 is a helicoidal magnetic that displays magnetic field induced ferroelectric switching. The magnetic ground state is complicated, requiring seven nearest-neighbor symmetric exchange constants. Given this underlying complex exchange network, the authors have applied zeroth- and first-moment sum rules of neutron scattering to a multiplexed data set, thereby extracting the symmetric Heisenberg exchange constants. These are then used to calculate long-wavelength excitations as a test of the stability of the cycloidal structure, validating the refined magnetic structure.

Editors' Suggestion
Low-temperature magnetism of KAgF3
John M. Wilkinson, Stephen J. Blundell, Sebastian Biesenkamp, Markus Braden, Thomas C. Hansen, Kacper Koteras, Wojciech Grochala, Paolo Barone, José Lorenzana, Zoran Mazej, and Gašper Tavčar
Phys. Rev. B 107, 144422 (2023) – Published 20 April 2023

KAgF3 is a member of the fluoroargentate family of compounds containing Ag in the rare 2+ oxidation state. These were predicted to be the precursors to a new family of high-Tc superconductors and to host quantum antiferromagnetism. The authors use neutron diffraction, µSR, and density functional theory to investigate the low-temperature magnetism of the compound. They find that the compound is an A-type antiferromagnet at low temperature with an electronic moment of about 0.5 µB, similar to quantum-fluctuating spin-½ cuprates.

Editors' Suggestion
Free energy and specific heat near a quantum critical point of a metal
Shang-Shun Zhang, Erez Berg, and Andrey V. Chubukov
Phys. Rev. B 107, 144507 (2023) – Published 17 April 2023

The authors examine the free energy and specific heat of fermions interacting with gapless bosons at a quantum critical point in a metal. Employing the Luttinger-Ward formula, they find that the total specific heat of the normal state is the sum of contributions from free fermions and critical bosons with a fully dressed propagator. They investigate several typical quantum critical points and confirm the thermal stability of the normal state for each case.

Editors' Suggestion
Image charge effect in layered materials: Implications for the interlayer coupling in MoS2
P. Marauhn and M. Rohlfing
Phys. Rev. B 107, 155407 (2023) – Published 7 April 2023

Interlayer coupling often has profound effects on the electronic structure of layered materials. Its strength depends on the ratio between interlayer hopping and band offset. In multilayer materials, the image charge effect causes a layer-dependent variation of the band offset. Here, the authors study the effect of this variation on the interlayer coupling by combining the tight-binding method with an image self-energy. In MoS2, the image charge effect leads to the formation of a surface-layer band gap.

Editors' Suggestion
Excitonic absorption signatures of twisted bilayer WSe2 by electron energy-loss spectroscopy
Steffi Y. Woo, Alberto Zobelli, Robert Schneider, Ashish Arora, Johann A. Preuß, Benjamin J. Carey, Steffen Michaelis de Vasconcellos, Maurizia Palummo, Rudolf Bratschitsch, and Luiz H. G. Tizei
Phys. Rev. B 107, 155429 (2023) – Published 26 April 2023

The excitonic response in twisted bilayer WSe2 as a function of the moiré angle has been investigated using electron energy loss spectroscopy under cryogenic conditions, and interpreted on the basis of first-principles calculations of the dielectric response of the AA′ stacked bilayer WSe2 relative to monolayer WSe2. This work provides valuable insight into the physical origins of high-energy absorption resonances in twisted bilayers, where the tuning of the excitonic peak C transitions is an effective indicator of the interlayer coupling.

Editors' Suggestion
Photoinduced charge dynamics in 1T−TaS2
Francesco Petocchi, Jiyu Chen, Jiajun Li, Martin Eckstein, and Philipp Werner
Phys. Rev. B 107, 165102 (2023) – Published 3 April 2023

Nonequilibrium cluster dynamical mean-field theory simulations of a realistic multilayer structure are used to study the charge carrier dynamics induced by a laser pulse in 1T-TaS2. The solution is propagated up to picosecond timescales and shows that long-lived charge excitations only exist in the surface state of a specific structure, while the disturbance of bonding states in the bilayers that make up the bulk of the structure explain the almost instantaneous appearance of in-gap states reported in recent experiments.

Editors' Suggestion
Theory of criticality for quantum ferroelectric metals
Avraham Klein, Vladyslav Kozii, Jonathan Ruhman, and Rafael M. Fernandes
Phys. Rev. B 107, 165110 (2023) – Published 6 April 2023

Although ferroelectricity in metals was long considered to be impossible, a large family of materials hosting both states has been discovered in recent years, and these properties are often strongly coupled. The authors investigate here the quantum phase transition between the ferroelectric and paraelectric states in metals. They find unique quantum critical properties stemming from unconventional inversion-breaking fluctuations, along with enhanced tendencies to both spin singlet and triplet superconductivity, and provide protocols for strain control of the quantum state of these systems.

Editors' Suggestion
Strong correlations in ABC-stacked trilayer graphene: Moiré is important
Adarsh S. Patri and T. Senthil
Phys. Rev. B 107, 165122 (2023) – Published 11 April 2023

Recent experiments uncovering ferromagnetism and superconductivity in multilayer graphene have questioned the importance of moiré potentials in determining the myriad phenomena in two-dimensional materials. In this work, using Hartree-Fock analysis with a careful treatment of periodic potentials, the authors demonstrate that moiré potentials indeed crucially affect the strong correlation physics, with their impact as beyond that of a weak perturbation. In short: moiré is important.

Editors' Suggestion
Magnetic anisotropy and low-energy spin dynamics in the van der Waals compounds Mn2P2S6 and MnNiP2S6
J. J. Abraham, Y. Senyk, Y. Shemerliuk, S. Selter, S. Aswartham, B. Büchner, V. Kataev, and A. Alfonsov
Phys. Rev. B 107, 165141 (2023) – Published 24 April 2023

The multifrequency electron spin resonance study of the van der Waals compounds Mn2P2S6 and MnNiP2S6 shows that they are strongly anisotropic, each having a unique ground state and type of magnetic order. The authors find that increasing the Ni content yields a larger magnon gap in the ordered state and a larger g factor value and its anisotropy in the paramagnetic state. Moreover, the character of the excitations in Mn2P2S6 undergoes a field-induced crossover from a 3D-like toward a 2D XY regime.

Editors' Suggestion
Spectral function of the J1−J2 Heisenberg model on the triangular lattice
Nicholas E. Sherman, Maxime Dupont, and Joel E. Moore
Phys. Rev. B 107, 165146 (2023) – Published 25 April 2023

Triangular lattice compounds have received extensive attention recently as quantum spin liquid candidates. Here, the authors look at the J1-J2 Heisenberg model on the triangular lattice, and calculate the spectral function relevant for neutron scattering experiments. They find a high-energy spectrum consistent with reports of a spinon Fermi surface state in triangular lattice compounds, although the low-energy spectrum rules out such a phase, and points towards a U(1) Dirac spin liquid. They provide clear signatures to look for in future neutron scattering experiments to distinguish these two phases.

Editors' Suggestion
Optical conductivity and vibrational spectra of the narrow-gap semiconductor FeGa3
C. Martin, V. A. Martinez, M. Opačić, S. Djurdjić-Mijin, P. Mitrić, A. Umićević, A. Poudel, I. Sydoryk, Weijun Ren, R. M. Martin, D. B. Tanner, N. Lazarević, C. Petrovic, and D. Tanasković
Phys. Rev. B 107, 165151 (2023) – Published 26 April 2023

The authors perform optical, Raman, and Mössbauer spectroscopy measurements of the narrow-gap semiconductor FeGa3, along with DFT band structure and vibrational frequencies calculation. The results indicate that the spectral weight below the charge gap of approximately 0.4 eV originates from the impurities and not from the correlation effects. Both the infrared and Raman lines are very narrow, and so too are the Mössbauer spectral lines, which implies a good crystallinity of the sample.

Editors' Suggestion
Dynamical mean-field theory for the Hubbard-Holstein model on a quantum device
Steffen Backes, Yuta Murakami, Shiro Sakai, and Ryotaro Arita
Phys. Rev. B 107, 165155 (2023) – Published 27 April 2023

Utilizing quantum computers for real materials calculations is highly promising, but hinges on qubit fidelity and fault-tolerant quantum algorithms. Here, the authors show that a representative model for real materials, the Hubbard-Holstein model, which describes interacting electrons on a lattice coupled to bosonic degrees of freedom, can be reliably investigated using today's Quantum processors. Adapting state-of-the-art mathematical tools is shown to be critical to overcome limitations imposed by the noise level of current quantum computing devices.

Editors' Suggestion
Reanalysis of experimental determinations of polariton-polariton interactions in microcavities
D. W. Snoke, V. Hartwell, J. Beaumariage, S. Mukherjee, Y. Yoon, D. M. Myers, M. Steger, Z. Sun, K. A. Nelson, and L. N. Pfeiffer
Phys. Rev. B 107, 165302 (2023) – Published 5 April 2023

Inside solids, photons can become strongly interacting, which allows the possibility of optical transistors, in a which one light beam controls the transmission of another light beam. The strength of this interaction can be greatly increased in specially designed structures in which the photon frequency is near an electronic resonance known as an exciton. The exact value of this interaction strength has been much debated, ranging over orders of magnitude. This paper reviews a set of experiments and argues for a number well below some earlier estimates, but still large compared to the predictions of standard theory calculations.

Editors' Suggestion
Electrostatic effects of MnBi2Te4-superconductor heterostructures in the chiral Majorana search
Li Chen, Zhan Cao, Ke He, Xin Liu, and Dong E. Liu
Phys. Rev. B 107, 165405 (2023) – Published 6 April 2023

The realization of chiral Majorana modes is a significant and challenging task. The authors develop a self-consistent Schrödinger-Poisson method to study the electrostatic effect induced by the gate control. The electrostatic environment imposes constraints on both induced superconductivity and the tunability of the surface states, and therefore significantly influences the topological region compared to previous work. Their results provide a deep understanding of the real phase diagrams and parameter tunability of superconductor–quantum anomalous Hall insulator devices for the chiral Majorana search.

Editors' Suggestion Letter
Enhanced spin Seebeck effect in the paramagnetic phase of the three-dimensional Heisenberg antiferromagnet RbMnF3
J. D. M. de Lima, P. R. T. Ribeiro, F. L. A. Machado, and S. M. Rezende
Phys. Rev. B 107, L140406 (2023) – Published 11 April 2023

The spin Seebeck effect (SSE) consists of the generation of a spin current in a magnetic material under a thermal gradient, detected by the electric current it produces in an attached metallic layer. Here, the authors report studies of the SSE in RbMnF3, a nearly isotropic, insulating antiferromagnet with a Néel temperature of 83 K. By varying the applied magnetic field, they observe the antisymmetric step variation typical of the SSE, both in the ordered and paramagnetic phases, even at room temperature.

Editors' Suggestion Letter
Frequency-dependent phonon-mediated unidirectional magnetoresistance in a metal on an insulator with highly nonequilibrium magnons
Sean E. Sullivan, Hwijong Lee, Annie Weathers, and Li Shi
Phys. Rev. B 107, L140412 (2023) – Published 28 April 2023

Recent theories have predicted a magnonic unidirectional magnetoresistance (UMR) for a heavy metal on a magnetic insulator due to a nonlinear interfacial spin current. The authors show here that the spin Peltier heat flux carried by the interfacial spin current can cause a much larger UMR than the prediction. Their analytical model reveals how the observed frequency-dependent spin Peltier magnetoresistance and spin Seebeck effect are controlled by the magnon spin and energy relaxation lengths and the thermal penetration depth.

Editors' Suggestion Letter
Insulating vortex cores in disordered superconductors
Anushree Datta, Anurag Banerjee, Nandini Trivedi, and Amit Ghosal
Phys. Rev. B 107, L140502 (2023) – Published 11 April 2023

In the standard paradigm, magnetic fields destroy superconductivity by creating Abrikosov vortices with metallic cores. Increasing field proliferates vortices, cores overlap, turning the system into a metal. In the disordered superconductors studied here, a starkly different scenario unfolds: Josephson vortices with insulating cores nucleate, long-range phase coherence of the superconductor and its energy-gap vanish at different critical fields, opening up a pseudogap region of Cooper-paired insulator. The resulting phase diagram uncovers an array of intriguing phenomena, including gigantic magnetoresistance peaks of disordered superconducting films.

Editors' Suggestion Letter
Superconductivity from electronic interactions and spin-orbit enhancement in bilayer and trilayer graphene
Alejandro Jimeno-Pozo, Héctor Sainz-Cruz, Tommaso Cea, Pierre A. Pantaleón, and Francisco Guinea
Phys. Rev. B 107, L161106 (2023) – Published 13 April 2023

What drives superconductivity in non-moiré graphene? Here, an electron-electron mechanism is applied to the continuum framework of Bernal bilayer and rhombohedral trilayer graphene. Within a Kohn-Luttinger-like approach, the internal screening of the long-range Coulomb potential leads to an effective attraction between carriers, enabling the formation of Cooper pairs. The calculations provide a filling-dependent critical temperature that is remarkably enhanced due to Ising spin-orbit coupling, and determine the spin-triplet valley-singlet symmetry of the superconducting order parameter, in line with recent experimental advances.

Editors' Suggestion Letter
Optical switch of electron-hole and electron-electron collisions in semiconductors
Yang Wang, Yu Liu, Pengzuo Jiang, Yunan Gao, Hong Yang, Liang-You Peng, Qihuang Gong, and Chengyin Wu
Phys. Rev. B 107, L161301 (2023) – Published 11 April 2023

Optoelectronic information devices are being developed to achieve an ultrafast speed, an ultrasmall size, and an ultralow power consumption. Here, the authors demonstrate the precise switch of two light wave driven carrier dynamic processes in semiconductors by using a weak control laser. One is the electron-hole collision recombination leading to high-order harmonic generation. The other is the electron-electron impact excitation leading to stimulated simulation. This all-optical switch has an ultrafast speed, a low threshold, and a broad spectral responsiveness.

Editors' Suggestion Letter
Characteristic nanoscale deformation on a large-area coherent graphite moiré pattern
N. Sarkar, P. R. Bandaru, and R. C. Dynes
Phys. Rev. B 107, L161402 (2023) – Published 5 April 2023

Highly oriented pyrolytic graphite (HoPG) is the only monoatomic crystal found to host naturally formed moiré patterns on its cleaved exfoliated surfaces, which are coherent over micrometers with fixed periodicities. The authors merge the idea of STM tip-induced deformation to probe in situ the gradual nanoscale structural changes on moiré patterns with strain. They show the first experimental proof that one-dimensional domain walls of moiré patterns can laterally split into two similar to the triangular networks of one-dimensional electronic channels in domain walls, topologically protected around AA nodes. Further, domain-wall edge states are also possibly probed with spectroscopy.

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