Volume 9, Issue 4

April 2025

Browse Issues:

HIGHLIGHTED ARTICLES

EDITORS' SUGGESTION

Identifying insulating to metallic complexion transitions in NbFeSb

Duncan Zavanelli, Ruben Bueno Villoro, Raana Hatami Naderloo, Nicolas Perez Rodriguez, Siyuan Zhang, Ran He, Christina Scheu, and G. Jeffrey Snyder

Phys. Rev. Materials 9, 045402 (2025) - Published 25 April, 2025

Electrical resistance from grain boundary phases (complexions) is detrimental to thermoelectric performance. A promising strategy for mitigating this resistance is altering the composition at a grain boundary through complexion transitions. In NbFeSb, increasing the Ti content has been shown to result in Ti-rich boundaries that effectively eliminate boundary resistance and make Ti-doped NbFeSb a high performing thermoelectric. In this study, a model based on the average band offset between the grain boundaries and grain is used to identify a resistive to nonresistive complexion transition in NbFeSb. This method can be applied to any material with thermoelectric transport data and grain size measurements.

EDITORS' SUGGESTION

LETTER

Strain-enabled control of the vanadium qudit in silicon carbide

Philipp Koller, Thomas Astner, Benedikt Tissot, Guido Burkard, and Michael Trupke

Phys. Rev. Materials 9, L043201 (2025) - Published 24 April, 2025

Nuclear spins in crystals are strong candidates for the storage of quantum information in quantum communication and computing. Addressing their energy states is, however, challenging due to their small gyromagnetic moment. The authors show that the presence of strain enables fast state control in the hyperfine manifold of the spin 7/2 nuclear qudit of vanadium in silicon carbide. This high-dimensional system offers a hardware-efficient route to fault-tolerant quantum operations. The qudit also features a telecom-band optical transition, paving the way for scalable light-matter interfaces. These results mark a significant step toward integrating high-dimensional quantum memories with optical quantum networks.

LETTERS

Structural and mechanical properties

LETTER

Impact of magnetism on Fe phase diagram under extreme conditions

Grigory S. Smirnov, Oleg E. Peil, Andrei V. Ruban, Sergei I. Simak, and Anatoly B. Belonoshko

Phys. Rev. Materials 9, L040601 (2025) - Published 23 April, 2025

Two-dimensional materials

LETTER

Extracting intrinsic superconducting properties in intercalated layered superconductors using an extended 2D Tinkham model

Yue Liu, Yuhang Zhang, Zouyouwei Lu, Dong Li, Yuki M. Itahashi, Zhanyi Zhao, Jiali Liu, Jihu Lu, Feng Wu, Kui Jin, Hua Zhang, Ziyi Liu, Xiaoli Dong, and Zhongxian Zhao

Phys. Rev. Materials 9, L041001 (2025) - Published 28 April, 2025

Magnetic, ferroelectric, and multiferroic materials

LETTER

Complete magnetization compensation in the intrinsic ferromagnetic semiconductor ${Gd}_{x} {Sm}_{1 - x} N$

J. D. Miller, H. J. Trodahl, M. Al Khalfioui, S. Vézian, and B. J. Ruck

Phys. Rev. Materials 9, L041401 (2025) - Published 4 April, 2025

Materials for Quantum Technologies

EDITORS' SUGGESTION

LETTER

Strain-enabled control of the vanadium qudit in silicon carbide

Philipp Koller, Thomas Astner, Benedikt Tissot, Guido Burkard, and Michael Trupke

Phys. Rev. Materials 9, L043201 (2025) - Published 24 April, 2025

ARTICLES

Structural and mechanical properties

Speed of sound and elastic properties of single crystals of inorganic and hybrid lead-free iodide perovskites obtained by femtosecond transient optical reflectivity

Giuseppe Ammirati, Patrick O'Keeffe, Stefano Turchini, Daniele Catone, Alessandra Paladini, Francesco Toschi, Stevan Gavranovic, Jan Pospisil, Giovanni Mannino, Salvatore Valastro, and Faustino Martelli

Phys. Rev. Materials 9, 043601 (2025) - Published 7 April, 2025

Simulations of shock compression of fully neutralized poly(ethylene-co-acrylic acid) ionomers

Pedro S. Lance, Daniel A. Vega, Richard A. Register, and Leopoldo R. Gómez

Phys. Rev. Materials 9, 043602 (2025) - Published 9 April, 2025

Real-time observation of twinning, detwinning, and melting in shock-loaded AZ31B-H24 magnesium alloy

C. L. Williams, D. T. Mallick, J. T. Lloyd, J. P. Ligda, and J. D. Clayton

Phys. Rev. Materials 9, 043603 (2025) - Published 15 April, 2025

Effect of temperature and chemical disorder on the martensitic phase transition in the high-temperature shape-memory alloy NbRu

M. P. Belov, O. Yu. Vekilova, A. V. Lugovskoy, O. M. Krasilnikov, Yu. Kh. Vekilov, A. B. Belonoshko, and S. I. Simak

Phys. Rev. Materials 9, 043604 (2025) - Published 28 April, 2025

Development of new methods for materials

Tuning phonon transport via complex nanostructure design using an X+EA hybrid optimization strategy

Shengluo Ma, Nanyu Wang, and Shenghong Ju

Phys. Rev. Materials 9, 043801 (2025) - Published 17 April, 2025

When more data hurts: Optimizing data coverage while mitigating diversity-induced underfitting in an ultrafast machine-learned potential

Jason B. Gibson, Tesia D. Janicki, Ajinkya C. Hire, Chris Bishop, J. Matthew D. Lane, and Richard G. Hennig

Phys. Rev. Materials 9, 043802 (2025) - Published 22 April, 2025

OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

Shubha R. Kharel, Fanchen Meng, Xiaohui Qu, Matthew R. Carbone, and Deyu Lu

Phys. Rev. Materials 9, 043803 (2025) - Published 24 April, 2025

X-ray absorption spectroscopy (XAS) is a powerful technique for probing local chemical environments. However, interpreting XAS spectra remains challenging, due to high computational costs and the need for domain expertise. To overcome these barriers, we introduce OmniXAS, a graph neural network framework that leverages transfer learning to directly predict XAS spectra from atomic structures. By capturing the shared spectral trends across the 3d transition metal family, OmniXAS learns a universal model that can be effectively fine-tuned on each specific element. OmniXAS achieves high predictive accuracy as demonstrated on the K-edge spectra of eight 3d transition metals (Ti–Cu), enabling real-time prediction of XAS spectra with minimal computational overhead.

Two-dimensional materials

Quantum transport transition from quantum interference to Coulomb blockade in suspended CVD graphene nanoribbons with reduced ribbon widths

Jyun-Hong Chen, Yann-Wen Lan, Lain-Jong Li, Chiashain Chuang, Chii-Dong Chen, and Yuan-Liang Zhong

Phys. Rev. Materials 9, 044001 (2025) - Published 8 April, 2025

Low contact resistance and electrical transport improvement obtained by surface adsorption strategy in blue phosphorene field-effect transistor

Weiling Chen, Xian Lin, Jian-Min Zhang, Guigui Xu, Kehua Zhong, and Zhigao Huang

Phys. Rev. Materials 9, 044002 (2025) - Published 9 April, 2025

Epitaxial growth of mono- and (twisted) multilayer graphene on SiC(0001)

Hao Yin (尹浩), Mark Hutter, Christian Wagner, F. Stefan Tautz, François C. Bocquet, and Christian Kumpf

Phys. Rev. Materials 9, 044003 (2025) - Published 9 April, 2025

$B A_{2} N_{3}$ ( $A = Si, Ge$ ) monolayers: Multifunctional 2D polar semiconductors with intercalation-induced centrosymmetry breaking

Ruoyan Xu, Junlin Luo, Rui Peng, Haiyu Meng, Xiong-Xiong Xue, and Yee Sin Ang

Phys. Rev. Materials 9, 044004 (2025) - Published 21 April, 2025

Topological and Dirac materials

Tunable Topological Phases in a Natural ${MnSb}_{2} T e_{4} / {(S b_{2} T e_{3})}_{2}$ superlattice

Xin Zhang, Shihao Zhang, Zhicheng Jiang, Yichen Yang, Zhengtai Liu, Song Yang, Jinlong Jiao, Litao Yu, Wei Xia, Xia Wang, Na Yu, Zhiqiang Zou, Jie Ma, Yongsheng Liu, Dawei Shen, Jianpeng Liu, and Yanfeng Guo

Phys. Rev. Materials 9, 044201 (2025) - Published 15 April, 2025

Investigation of weak antilocalization and $π$ -Berry phase by quantum oscillation in ferromagnetic Weyl semimetals

Priyanka Meena, Mohit Mudgal, Sonika Bagga, V. K. Tiwari, Vivek Kumar Malik, C. S. Yadav, and Jayita Nayak

Phys. Rev. Materials 9, 044202 (2025) - Published 18 April, 2025

Type-II Weyl nodes, flat bands, and evidence for a topological Hall-effect in the new ferromagnet ${FeCr}_{3} {Te}_{6}$

Shyam Raj Karullithodi, Vadym Kulichenko, Mario A. Plata, Andrzej Ptok, Sang-Eon Lee, Gregory T. McCandless, Julia Y. Chan, and Luis Balicas

Phys. Rev. Materials 9, 044203 (2025) - Published 18 April, 2025

Multiple strain-induced topological phase transitions in $1 D$ polyacene polymers: A first-principles study

M. Mosaferi, M. Aktas, D. Romanin, and A. W. Chin

Phys. Rev. Materials 9, 044204 (2025) - Published 28 April, 2025

Magnetic, ferroelectric, and multiferroic materials

Magneto-optical properties of 40 nm thick textured $L a_{2 / 3} S r_{1 / 3} Mn O_{3}$ thin films integrated on silicon via a $C a_{2} N b_{3} O_{10}^{-}$ nanosheet layer

Tomáš Maleček, Guillaume Agnus, Thomas Maroutian, Lukáš Horák, Petr Machovec, Valérie Demange, Aleš Melzer, Michal Hubert, Jan Prokleška, Philippe Lecoeur, and Martin Veis

Phys. Rev. Materials 9, 044401 (2025) - Published 1 April, 2025

Iridium spacer induced spin-orbit torque switching in synthetic antiferromagnets

Haodong Fan, Mingzhang Wei, Zhongshu Feng, Birui Wu, Menghao Jin, Ziji Shao, Changqiu Yu, Bo Liu, Wenjun Li, and Tiejun Zhou

Phys. Rev. Materials 9, 044402 (2025) - Published 1 April, 2025

Near-half-metallic state in the half-Heusler PtMnSb film on a III-V substrate

Shinichi Nishihaya, Malcolm J. A. Jardine, Hadass S. Inbar, Aranya Goswami, Jason T. Dong, Aaron N. Engel, Yu-Hao Chang, Connor P. Dempsey, Makoto Hashimoto, Donghui Lu, Noa Marom, and Chris J. Palmstrøm

Phys. Rev. Materials 9, 044403 (2025) - Published 2 April, 2025

Current-induced magnetization switching in all-oxide $SrIr O_{3}$ / $Sr {Mn}_{0.35} {Ir}_{0.65} O_{3}$ heterostructures

Pengxiang Hou, Shengkai Liu, Zhiyu Liu, Yajie Han, Yuqi Wang, Zhongnan Xi, Yu Deng, Yurong Yang, and Di Wu

Phys. Rev. Materials 9, 044404 (2025) - Published 2 April, 2025

Quantifying the orientation dependence of diffraction contrast on magnetic STEM-DPC imaging of freestanding oxide thin films

Sivert Dagenborg, Andrea D'Alessio, Eric Brand, Nikolas Vitaliti, Alessandro Palliotto, Ingrid Hallsteinsen, Felix Trier, Dae-Sung Park, Nini Pryds, and Magnus Nord

Phys. Rev. Materials 9, 044405 (2025) - Published 7 April, 2025

Scanning Transmission Electron Microscopy - Differential Phase Contrast (STEM-DPC) is a 4D-STEM technique that allows quantitative characterization of electromagnetic fields down to nanoscale resolution. However, a significant challenge arises from diffractive intensity scattering in crystalline materials, which introduces distortive contrast that can obscure magnetic imaging. This work details how to minimize this issue, which the authors demonstrate using a ferromagnetic freestanding La $_{0.67}$ Sr $_{0.33}$ MnO $_{3}$ thin film to quantify diffraction contrast variations under different orientations and processing conditions. All the data and scripts are made publicly available, providing a platform for others to test their own processing.

Crystal structure, magnetic, and magnetostructural correlations in double perovskite antiferromagnets ${Sr}_{2} {NiMo}_{1 - x} W_{x} O_{6} (0 \leq x \leq 1)$

R. K. Patel, K. S. Chikara, S. M. Hossain, M. Majumder, Chandrani Nath, S. M. Yusuf, M. P. Saravanan, A. K. Bera, and A. K. Pramanik

Phys. Rev. Materials 9, 044406 (2025) - Published 10 April, 2025

Hysteresis and energy barriers in soft magnets

Hongyi Guan, Negar Ahani, Carlos García-Cervera, and Ananya Renuka Balakrishna

Phys. Rev. Materials 9, 044407 (2025) - Published 11 April, 2025

Tuning of the dimensionality in an $S = 1 / 2$ spatially anisotropic square lattice antiferromagnet $[{({CH}_{3})}_{2} {NH}_{2}] Cu {(HCOO)}_{2} ({NO}_{3})$

M. Y. Cui, Z. Y. Zhao, Y. Q. Wang, and Z. Z. He

Phys. Rev. Materials 9, 044408 (2025) - Published 16 April, 2025

Buffer-layer effect on the ferromagnetism of manganite heterojunctions

David Howe, Zhen Wang, M. Saghayezhian, Zeeshan Ali, Prahald Siwakoti, Haoming Ling, Yan Liang, E. W. Plummer, Yimei Zhu, and Jiandi Zhang

Phys. Rev. Materials 9, 044409 (2025) - Published 17 April, 2025

Crystal structure evolution induced by the Jahn-Teller effect in mixed-valence silver fluoride ${Ag}_{3} F_{5}$

Dmitry M. Korotin, Dmitry Y. Novoselov, Yaroslav M. Plotnikov, and Vladimir I. Anisimov

Phys. Rev. Materials 9, 044410 (2025) - Published 21 April, 2025

Magnetic evolution induced by freezing of ${Ag}^{+}$ fluctuations in an intercalated transition metal dichalcogenide

J. Qi, H. Wang, Q. Zhang, Y. Kawakita, K. Shibata, P. Miao, S. Torii, Y. K. Huang, D. Li, K. Singh, R. Rawat, T. Kamiyama, D. Vaknin, E. P. Gilbert, Z. D. Zhang, K. Nakajima, and B. Li

Phys. Rev. Materials 9, 044411 (2025) - Published 22 April, 2025