135 citations · 593 across the 20 of their papers we have counts for
20 papers
Machine learning enabled experimental design and parameter estimation for ultrafast spin dynamics
Zhantao Chen, Cheng Peng, Alexander N. Petsch +5
Advanced experimental measurements are crucial for driving theoretical developments and unveiling novel phenomena in condensed matter and material physics, which often suffer from…
On Ultrafast X-ray Methods for Magnetism
Rajan Plumley, Sathya Chitturi, Cheng Peng +36
With the introduction of x-ray free electron laser sources around the world, new scientific approaches for visualizing matter at fundamental length and time-scales have become poss…
Capturing dynamical correlations using implicit neural representations
Sathya Chitturi, Zhurun Ji, Alexander Petsch +16
The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitatio…
Testing the data framework for an AI algorithm in preparation for high data rate X-ray facilities
Hongwei Chen, Sathya R. Chitturi, Rajan Plumley +22
The advent of next-generation X-ray free electron lasers will be capable of delivering X-rays at a repetition rate approaching 1 MHz continuously. This will require the development…
On the Role of Defects in the Electronic Structure of MnBiSbTe
Daniel Nevola, Kevin F. Garrity, Nader Zaki +4
Elemental substitution is a proven method of Fermi level tuning in topological insulators, which is needed for device applications. Through static and time resolved photoemission,…
Anisotropy of the magnetic and transport properties in EuZnAs
Zhi-Cheng Wang, Emily Been, Jonathan Gaudet +12
Several recent studies have shown that the anisotropy in the magnetic structure of \ECA\ plays a significant role in stabilizing the Weyl nodes. To investigate the relationship bet…
Topological Phases of Mn (A=Bi, Sb; X = Se, Te) under Magnetic Field
Sugata Chowdhury, Kevin F. Garrity, Francesca Tavazza
The concept of electronic topology and the associated topological protection brings excellent opportunities for developing next-generation devices. Ideally, magnetic topological ma…
Review of Theoretical and Computational Methods for 2D Materials Exhibiting Charge Density Waves
Sugata Chowdhury, Heather M. Hill, Albert F. Rigosi +3
Two-dimensional (2D) materials that exhibit charge density waves (CDWs) have generated many research endeavors in the hopes of employing their exotic properties for various quantum…
Bonding characteristics of the interfacial buffer layer in epitaxial graphene via density functional theory
Alana Okullo, Heather M. Hill, Albert F. Rigosi +3
Monolayer epitaxial graphene is an appropriate candidate for a wide variety of electronic and optical applications. One advantage of growing graphene on the Si face of SiC is that…
Tunable spin polarization and electronic structure of bottom-up synthesized MoSiN materials
Rajibul Islam, Barun Ghosh, Carmine Autieri +4
Manipulation of spin-polarized electronic states of two-dimensional (2D) materials under ambient conditions is necessary for developing new quantum devices with small physical dime…
Examining Experimental Raman Mode Behavior in Mono- and Bi-layer 2H-TaSe via Density Functional Theory
Sugata Chowdhury, Heather M. Hill, Albert F. Rigosi +5
Tantalum diselenide (TaSe) is a metallic transition metal dichalcogenide whose equilibrium structure and vibrational behavior strongly depends on temperature and thickness, i…
Influence of Dimensionality on the Charge Density Wave Phase of 2H-TaSe
Sugata Chowdhury, Albert F. Rigosi, Heather M. Hill +5
Metallic transition metal dichalcogenides like tantalum diselenide (TaSe) exhibit exciting behaviors at low temperatures, including the emergence of charge density wave (CDW)…
Topological surface states of MnBiTe at finite temperatures and at domain walls
Kevin F. Garrity, Sugata Chowdhury, Francesca M. Tavazza
MnBiTe has recently been the subject of intensive study, due to the prediction of axion insulator, Weyl semimetal, and quantum anomalous Hall insulator phases, depending on…
Magnetic Skyrmions in Atomic Thin CrI Monolayer
Aroop K. Behera, Sugata Chowdhury, Suprem R. Das
In this letter, we report the visualization of topologically protected spin textures, in the form of magnetic skyrmions, in recently discovered monoatomic-thin two-dimensional CrI$…
Strain Controlled Magnetic and Optical Properties of Monolayer 2H-TaSe
Sugata Chowdhury, Jeffrey R. Simpson, T. L. Einstein +1
First-principles calculations are used to probe the effects of mechanical strain on the magnetic and optical properties of monolayer (ML) 2H-TaSe. A complex dependence of these…
Rutile TiO2 Bulk Structural and Vibrational Properties: A DFT Study on the Importance of Pseudopotentials
Sugata Chowdhury, Nacole King, Winnie Wong-Ng
Using first-principal density functional theory (DFT) we explained the importance of pseudopotential for decribing the electronic and vibrational properties of rutile TiO2 (R-TiO2)…
Prediction of Weyl semimetal, AFM topological insulator, nodal line semimetal, and Chern insulator phases in Bi2MnSe4
Sugata Chowdhury, Kevin F. Garrity, Francesca Tavazza
Three dimensional materials with strong spin-orbit coupling and magnetic interactions represent an opportunity to realize a variety of rare and potentially useful topological phase…
Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
Kamal Choudhary, Qin Zhang, Andrew C. E. Reid +6
We perform high-throughput density functional theory (DFT) calculations for optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using the Opt…
Theoretical investigation of the evolution of the topological phase of BiSe under mechanical strain
Steve M. Young, Sugata Chowdhury, Eric J. Walter +3
The topological insulating phase results from inversion of the band gap due to spin-orbit coupling at an odd number of time-reversal symmetric points. In BiSe, this inversi…
Density functional theory study of the structure and energetics of negatively charged pyrrole oligomers
Yafei Dai, Sugata Chowdhury, Estela Blaisten-Barojas
First-principles calculations are used to investigate the electronic properties of neutral and negatively charged n-pyrrole oligomers with n= 2-18. Chains of neutral oligomers are…