270 citations · 1.2k across the 38 of their papers we have counts for
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Reactivity of ultra-thin Kagome Metal FeSn towards Oxygen and Water
James Blyth, Sadhana Sridhar, Mengting Zhao +9
The kagome metal FeSn, consists of alternating layers of kagome-lattice Fe3Sn and honeycomb Sn2, and exhibits great potential for applications in future low energy electronics and…
Electric Field Control of Molecular Charge State in a Single-Component 2D Organic Nanoarray
Dhaneesh Kumar, Cornelius Krull, Yuefeng Yin +2
Quantum dots (QD) with electric-field-controlled charge state are promising for electronics applications, e.g., digital information storage, single-electron transistors and quantum…
Quasi-free-standing AA-stacked bilayer graphene induced by calcium intercalation of the graphene-silicon carbide interface
Antonija Grubišić-Čabo, Jimmy C. Kotsakidis, Yuefeng Yin +11
We study quasi-freestanding bilayer graphene on silicon carbide intercalated by calcium. The intercalation, and subsequent changes to the system, were investigated by low-energy el…
Designing optoelectronic properties by on-surface synthesis: formation and electronic structure of an iron-terpyridine macromolecular complex
Agustin Schiffrin, Martina Capsoni, Gelareh Farahi +10
Supramolecular chemistry protocols applied on surfaces offer compelling avenues for atomic scale control over organic-inorganic interface structures. In this approach, adsorbate-su…
Gigantic Anisotropy of Self-Induced Spin-Orbit Torque in Weyl Ferromagnet Co2MnGa
Motomi Aoki, Yuefeng Yin, Simon Granville +6
Spin-orbit torque (SOT) is receiving tremendous attention from both fundamental and application-oriented aspects. Co2MnGa, a Weyl ferromagnet that is in a class of topological quan…
Predicting the Early Stages of Solid-State Precipitation in Al-rich Al-Pt Alloys
Shenghan Su, Laure Bourgeois, Nikhil V. Medhekar
The high strength of structural aluminium alloys depends strongly on the controlled precipitation of specific intermetallic phases, whose identity and crystal structure can be diff…
Localized Wannier function based tight-binding models for two-dimensional allotropes of bismuth
Qile Li, Jackson S. Smith, Yuefeng Yin +4
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our u…
Thickness dependent tuning of the Berry curvature in a ferromagnetic Weyl semimetal
Yao Zhang, Yuefeng Yin, Guy Dubuis +3
Magnetic Weyl semimetals with spontaneously broken time-reversal symmetry exhibit a large intrinsic anomalous Hall effect originating from the Berry curvature. To employ this large…
Crossover from 2D ferromagnetic insulator to wide bandgap quantum anomalous Hall insulator in ultra-thin MnBi2Te4
Chi Xuan Trang, Qile Li, Yuefeng Yin +9
Intrinsic magnetic topological insulators offer low disorder and large magnetic bandgaps for robust magnetic topological phases operating at higher temperatures. By controlling the…
Freestanding n-Doped Graphene via Intercalation of Calcium and Magnesium into the Buffer Layer - SiC(0001) Interface
Jimmy C. Kotsakidis, Antonija Grubišić-Čabo, Yuefeng Yin +12
The intercalation of epitaxial graphene on SiC(0001) with Ca has been studied extensively, yet precisely where the Ca resides remains elusive. Furthermore, the intercalation of Mg…
Electronic bandstructure of in-plane ferroelectric van der Waals
James L. Collins, Chutian Wang, Anton Tadich +11
Layered indium selenides () have recently been discovered to host robust out-of-plane and in-plane ferroelectricity in the and ' phases, respectively. In this…
Atomistic Mechanisms of Mg Insertion Reactions in Group XIV Anodes for Mg-Ion Batteries
Mingchao Wang, Jodie A. Yuwono, Vallabh Vasudevan +2
Magnesium (Mg) metal has been widely explored as an anode material for Mg-ion batteries (MIBs) owing to its large specific capacity and dendrite-free operation. However critical ch…
Selective Control of Surface Spin Current in Topological Materials based on Pyrite-type OsX2 (X = Se, Te) Crystals
Yuefeng Yin, Michael S. Fuhrer, Nikhil V. Medhekar
Topological materials host robust surface states, which could form the basis for future electronic devices. As such states have spins that are locked to the momentum, they are of p…
Tunable electronic properties of partially edge-hydrogenated armchair boron-nitrogen-carbon nanoribbons
Naresh Alaal, Nikhil Medhekar, Alok Shukla
We employ first-principles calculations based density-functional-theory (DFT) approach to study electronic properties of partially and fully edge-hydrogenated armchair boron-nitrog…
The bi-layered precipitate phase zeta in the Al-Ag alloy system
Zezhong Zhang, Laure Bourgeois, Julian M. Rosalie +1
The Al-Ag system is thought to be a well-understood model system used to study diffusional phase transformations in alloys. Here we report the existence of a new precipitate phase,…
First principles many-body calculations of electronic structure and optical properties of SiC nanoribbons
Naresh Alaal, Vaideesh Loganathan, Nikhil Medhekar +1
A first principles many-body approach is employed to calculate the band structure and optical response of nanometer sized ribbons of SiC. Many-body effects are incorporated using t…
Energetics and kinetics of Li intercalation in irradiated graphene scaffolds
J. Song, B. Ouyang, N. V. Medhekar
In the present study we investigate the irradiation-defects hybridized graphene scaffold as one potential building material for the anode of Li-ion batteries. Designating the Wigne…
Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides
Junwen Li, Nikhil V. Medhekar, Vivek B. Shenoy
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for a…