740 citations · 2.3k across the 63 of their papers we have counts for
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Generative Discovery of Magnetic Insulators under Competing Physical Constraints
Qiulin Zeng, Tahiya Chowdhury, Md Shafayat Hossain
Discovering materials that must simultaneously satisfy multiple competing constraints remains a central challenge in computational materials design, particularly in data-scarce reg…
Expanding the extreme-k dielectric materials space through physics-validated generative reasoning
Hossain Hridoy, Tahiya Chowdhury, Md Shafayat Hossain
The most technologically consequential materials are often the rarest: they occupy narrow regions of chemical space, obey competing physical constraints, and appear only sparsely i…
Phonon Signatures of Near-Room-Temperature Phase Transition in Quasi-One-Dimensional Bi4I4 Topological van der Waals Material
Nidhish Thiruthukkal Puthenveettil, Topojit Debnath, Clayton Mantz +7
The quasi-one-dimensional material Bi4I4 hosts two crystallographically similar polymorphs that realize distinct topological insulating phases separated by a first-order structural…
Observation of a structurally driven, reversible topological phase transition in a distorted square net material
Xian P. Yang, Chia-Hsiu Hsu, Gokul Acharya +14
Topological materials hold immense promise for exhibiting exotic quantum phenomena, yet achieving controllable topological phase transitions remains challenging. Here, we demonstra…
Wavefunction-Free Approach for Predicting Nonlinear Responses in Weyl Semimetals
Mohammad Yahyavi, Ilya Belopolski, Yuanjun Jin +15
By sidestepping the intractable calculations of many-body wavefunctions, density functional theory (DFT) has revolutionized the prediction of ground states of materials. However, p…
Interlayer Charge-density-wave Vector Phase Induced Structural Chirality
Sen Shao, Wei-Chi Chiu, Tao Hou +21
Chiral charge density waves (CDWs) have attracted intense interest due to their exotic quantum properties, yet the microscopic origin of structural chirality emerging from correlat…
Tunable Topological Phase Transitions in a Piezoelectric Janus Monolayer
Tanshia Tahreen Tanisha, Md. Shafayat Hossain, Nishat Tasnim Hiramony +3
Quantum Spin Hall (QSH) insulators represent a quintessential example of a topological phase of matter, characterized by a conducting edge mode within a bulk energy gap. The pursui…
Topological, or Non-topological? A Deep Learning Based Prediction
Ashiqur Rasul, Md Shafayat Hossain, Ankan Ghosh Dastider +3
Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computati…
Intertwining of magnetism and charge ordering in kagome FeGe
Sen Shao, Jia-Xin Yin, Ilya Belopolski +11
Recent experiments report a charge density wave (CDW) in the antiferromagnet FeGe, but the nature of the charge ordering and the associated structural distortion remains elusive. W…
Emergent Edge Modes in Shifted Quasi-One-Dimensional Charge Density Waves
Song-Bo Zhang, Xiaoxiong Liu, Md Shafayat Hossain +3
We propose and study a two-dimensional (2D) phase of shifted charge density waves (CDW), which is constructed from an array of weakly coupled 1D CDW wires whose phases shift from o…
Visualizing the out-of-plane electronic dispersions in an intercalated transition metal dichalcogenide
Xian P. Yang, Harrison LaBollita, Zi-Jia Cheng +17
Layered transition metal dichalcogenides have rich phase diagram and they feature two dimensionality on numerous physical properties. Co1/3NbS2 is one of the newest members of this…
Self-consistent Capacitance-Voltage Characterization of Gate-all-around Graded Nanowire Transistor
Saeed Uz Zaman Khan, Md. Shafayat Hossain, Md. Obaidul Hossen +3
This paper presents a self-consistent numerical model for calculating the charge profile and gate capacitance and therefore obtaining C-V characterization for a gate-all-around gra…