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20052026
most citedFirst-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

351 citations

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64 papers · 1 filter

cond-mat.mtrl-sci2026

Scalable Solar-Blind Imaging Enabled by Single-Crystalline Beta-Ga2O3 Membranes on Silicon Backplanes

Xiang Xu, Hong Huang, Qi Huang +14

Ultrawide-bandgap semiconductors are attractive for solar-blind ultraviolet (UV) detection owing to their intrinsically low noise and high spectral selectivity, yet their deploymen…

cond-mat.mtrl-sci2025

Operando study of the evolution of peritectic structures in metal solidification by quasi-simultaneous synchrotron X-ray diffraction and tomography

Kang Xiang, Yueyuan Wang, Shi Huang +8

Using quasi-simultaneous synchrotron X-ray diffraction and tomography techniques, we have studied in-situ and in real-time the nucleation and co-growth dynamics of the peritectic s…

cond-mat.mtrl-sci2025

Design, synthesis, and physical properties of the intergrowth compound EuCuZnAs

Xiyu Chen, Ziwen Wang, Wuzhang Yang +7

The rational combination of existing magnetic topological compounds presents a promising route for designing new topological materials. We report the synthesis and comprehensive ch…

cond-mat.mtrl-sci2025

Ferroelectricity in 6 Angstrom-Thick Two-dimensional GaO

Tong Jiang, Han Chen, Yubo Yuan +9

Atomic-scale ferroelectric thin films hold great promise for high-density, low-power applications but face stability and voltage scaling challenges at extreme thinness. Here, we de…

cond-mat.mtrl-sci2025★ 2 cited

Tailored ordering enables high-capacity cathode materials

Tzu-chen Liu, Adolfo Salgado-Casanova, So Yubuchi +7

Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathod…

cond-mat.mtrl-sci2025★ 1 cited

Structural design and multiple magnetic orderings of the intergrowth compound EuCuMnP

Xiyu Chen, Ziwen Wang, Wuzhang Yang +6

We report the design, synthesis, crystal structure, and physical properties of a layered intergrowth compound, EuCuMnP. The structure of EuCuMnP features an…

cond-mat.mtrl-sci2025★ 23 cited

Fragile Unconventional Magnetism in RuO by Proximity to Landau-Pomeranchuk Instability

Zhuang Qian, Yudi Yang, Shi Liu +1

Altermagnetism has attracted considerable attention for its remarkable combination of spin-polarized band structures and zero net magnetization, making it a promising candidate for…

cond-mat.mtrl-sci2024★ 4 cited

Highly Polarizable Semiconductors and Universal Origin of Ferroelectricity in Materials with a Litharge-Type Structural Unit

Ziye Zhu, Jiaming Hu, Yubo Yuan +3

We discover that a large family of [PbF]- and [BiO]-based mixed-anion materials with a litharge-type structural unit are highly polarizable layered semiconductors o…

cond-mat.mtrl-sci2024★ 8 cited

Weak antilocalization in the transition metal telluride TaPdTe

Wen-He Jiao, Hang-Qiang Qiu, Wuzhang Yang +8

We report transport studies on the layered van der Waals topological crystalline insulator TaPdTe. The temperature-dependent resistance at high temperature is dominated…

cond-mat.mtrl-sci2024★ 2 cited

Inter-Cation Charge Transfer Mediated Antiferromagnetism in CoIrS

Liang-Wen Ji, Si-Qi Wu, Bai-Zhuo Li +6

The antiferromagnetism in transition metal compounds is mostly mediated by the bridging anions through a so-called superexchange mechanism. However, in materials like normal spinel…

cond-mat.mtrl-sci2024★ 1 cited

Absence of itinerant ferromagnetism in a cobalt-based oxypnictide

Hua-Xun Li, Hao Jiang, Yi-Qiang Lin +5

We report a layered transition-metal-ordered oxypnictide SrCrCoAsO. The new material was synthesized by solid-state reactions under vacuum. It has an intergrowth struct…

cond-mat.mtrl-sci2024★ 3 cited

A DFT++ study of pristine and oxygen-deficient HfO with self-consistent Hubbard parameters

Yudi Yang, Wooil Yang, Young-Woo Son +1

HfO-based ferroelectrics have emerged as promising materials for advanced nanoelectronics, with their robust polarization and silicon compatibility making them ideal for high-d…

cond-mat.mtrl-sci2024★ 11 cited

Topological phase transitions in perovskite superlattices driven by temperature, electric field, and doping

Jiyuan Yang, Shi Liu

Many dipolar topological structures have been experimentally demonstrated in (PbTiO)/(SrTiO) superlattices, such as flux-closure, vortice, and skyrmion. In this wor…

cond-mat.mtrl-sci2024★ 17 cited

Origin of Interstitial Doping Induced Coercive Field Reduction in Ferroelectric Hafnia

Tianyuan Zhu, Liyang Ma, Xu Duan +1

Hafnia-based ferroelectrics hold promise for nonvolatile ferroelectric memory devices. However, the high coercive field required for polarization switching remains a prime obstacle…

cond-mat.mtrl-sci2024★ 65 cited

Progress in Computational Understanding of Ferroelectric Mechanisms in HfO

Tianyuan Zhu, Liyang Ma, Shiqing Deng +1

Since the first report of ferroelectricity in nanoscale HfO-based thin films in 2011, this silicon-compatible binary oxide has quickly garnered intense interest in academia and…

cond-mat.mtrl-sci2024★ 13 cited

Manipulating magnetism and transport properties of EuCdP with a low carrier concentration

Xiyu Chen, Ziwen Wang, Zhiyu Zhou +8

Materials that exhibit strongly coupled magnetic order and electronic properties are crucial for both fundamental research and technological applications. However, finding a materi…

cond-mat.mtrl-sci2024★ 15 cited

Carrier-induced transition from antiferromagnetic insulator to ferromagnetic metal in the layered phosphide EuZnP

Xiyu Chen, Wuzhang Yang, Jia-Yi Lu +5

EuZnP was reported to be an insulating antiferromagnet with of 23.5 K. In this study, single crystals of EuZnP exhibiting metallic behavior and a fer…

cond-mat.mtrl-sci2024★ 21 cited

Engineering band structures of two-dimensional materials with remote moire ferroelectricity

Jing Ding, Hanxiao Xiang, Wenqiang Zhou +7

The stacking order and twist angle provide abundant opportunities for engineering band structures of two-dimensional materials, including the formation of moire bands, flat bands,…

cond-mat.mtrl-sci2024★ 15 cited

Theoretical lower limit of coercive field in ferroelectric hafnia

Jiyuan Yang, Jing Wu, Jingxuan Li +4

The high coercive field () of hafnia-based ferroelectrics presents a major obstacle to their applications. The ferroelectric switching mechanisms in hafnia that dictate ,…

cond-mat.mtrl-sci2024★ 33 cited

Giant piezoelectric effects of topological structures in stretched ferroelectric membranes

Yihao Hu, Jiyuan Yang, Shi Liu

Freestanding ferroelectric oxide membranes emerge as a promising platform for exploring the interplay between topological polar ordering and dipolar interactions that are continuou…

cond-mat.mtrl-sci2023★ 39 cited

Universal interatomic potential for perovskite oxides

Jing Wu, Jiyuan Yang, Yuan-Jinsheng Liu +5

With their celebrated structural and chemical flexibility, perovskite oxides have served as a highly adaptable material platform for exploring emergent phenomena arising from the i…

cond-mat.mtrl-sci2023★ 8 cited

Polar discontinuities and interfacial electronic properties of BiOSe on SrTiO

Ziye Zhu, Jingshan Qi, Xiaorui Zheng +2

The layered oxychalcogenide semiconductor BiOSe (BOS) hosts a multitude of unusual properties including high electron mobility. Owing to similar crystal symmetry and lattic…

cond-mat.mtrl-sci2023★ 9 cited

Unraveling the unusually high electrical conductivity of the delafossite metal PdCoO

Xiaoping Yao, Yechen Xun, Ziye Zhu +2

The prototypical delafossite metal PdCoO has been the subject of intense interest for hosting exotic transport properties. Using first-principles transport calculations and the…

cond-mat.mtrl-sci2023★ 20 cited

Chirality-induced spin splitting in 1D InSeI

Shu Zhao, Jiaming Hu, Ziye Zhu +2

Spin-orbit coupling in chiral materials can induce chirality-dependent spin splitting, enabling electrical manipulation of spin polarization. Here, we use first-principles calculat…