195 citations · 572 across the 20 of their papers we have counts for
20 papers
Evidence for large Rashba splitting in PtPb4 from Angle-Resolved Photoemission Spectroscopy
Kyungchan Lee, Daixiang Mou, Na Hyun Jo +11
We studied the electronic structure of PtPb using laser angle-resolved photoemission spectroscopy(ARPES) and density functional theory(DFT) calculations. This material is clo…
Spatial decomposition of magnetic anisotropy in magnets: application for doped Fe16N2
Yang Sun, Yong-Xin Yao, Manh Cuong Nguyen +3
We propose a scheme of decomposition of the total relativistic energy in solids to intra- and interatomic contributions. The method is based on a variation of the speed of light fr…
Concentration tuned tetragonal strain in alloys: application to magnetic anisotropy of FeNiCo
Aleksander L. Wysocki, Manh Cuong Nguyen, Cai-Zhuang Wang +3
We explore an opportunity to induce and control tetragonal distortion in materials. The idea involves formation of a binary alloy from parent compounds having body-centered and fac…
First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic
Beilin Ye, Tongqi Wen, Manh Cuong Nguyen +3
The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and…
Pressure-induced multiple phase transformations of the BaBi superconductor
Li Xiang, Raquel A. Ribeiro, Udhara S. Kaluarachchi +6
Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi. A tempe…
Single Crystal Permanent Magnet: Extraordinary Magnetic Behavior in the ta, Cu and Fe Substituted CeCo5 System
Tej N. Lamichhane, Michael T. Onyszczak, Olena Palasyuk +12
To reduce material and processing costs of commercial permanent magnets and to attempt to fill the empty niche of energy products, 10 - 20 MGOe, between low-flux (ferrites, alnico)…
Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3
Manh Cuong Nguyen, Valentin Taufour, Sergey L. Budko +4
In this paper, we present a coupled experimental/theoretical investigation of pressure effect on the ferromagnetism of LaCrGe3 and LaCrSb3 compounds. The magnetic, electronic, elas…
Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations
Zejin Yang, Shunqing Wu, Xin Zhao +7
We performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive…
Elastic and electronic tuning of magnetoresistance in MoTe
Junjie Yang, Jonathan Colen, Jun Liu +3
Quasi-two dimensional transition metal dichalcogenides (TMD) exhibit dramatic properties that may transform electronic and photonic devices. We report on how the anomalously large…
Whether it is possible to stabilize the 1144-phase pnictides with tri-valence cations?
B. Q. Song, Manh Cuong Nguyen, C. Z. Wang +2
The 1144 iron arsenide (e.g. CaKFe4As4) has recently been discovered and inspired a tide of search for superconductors. Such far, the discovered compounds are confined to iron arse…
Growth and characterization of BaZnGa
Na Hyun Jo, Qisheng Lin, Manh Cuong Nguyen +12
We report the growth, structure and characterization of BaZnGa, identifying it as the sole known ternary compound in the Ba-Zn-Ga system. Single crystals of BaZnGa can be grown out…
Magnetocrystalline anisotropy in YCo5 and LaCo5: A choice of correlation parameters and the relativistic effects
Manh Cuong Nguyen, Yongxin Yao, Cai-Zhuang Wang +2
The dependence of the magnetocrystalline anisotropy energy (MAE) of MCo5 (M = Y, La) on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U sche…
Structures, phase transitions, and magnetic properties of Co3Si from first-principles calculations
Xin Zhao, Shu Yu, Shunqing Wu +3
Co3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [Appl. Phys. Lett. 108, 152406 (2016)], yet better understanding of this material is…
Highly responsive ground state of PbTaSe: structural phase transition and evolution of superconductivity under pressure
Udhara Kaluarachchi, Yuhang Deng, Matthew F. Besser +12
Transport and magnetic studies of PbTaSe under pressure suggest existence of two superconducting phases with the low temperature phase boundary at GPa that is defin…
Ferromagnetic Quantum Critical Point Avoided by the Appearance of Another Magnetic Phase in LaCrGe under Pressure
Valentin Taufour, Udhara S. Kaluarachchi, Rustem Khasanov +14
The temperature-pressure phase diagram of the ferromagnet LaCrGe is determined for the first time from a combination of magnetization, muon-spin-rotation and electrical resisti…
Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode
Z. Ye, X. Zhao, S. D. Li +10
Sodium orthosilicates Na2MSiO4 (M denotes transition metals) have attracted much attention due to the possibility of exchanging two electrons per formula unit. In this work, we rep…
Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations
Xin Zhao, Liqin Ke, Manh Cuong Nguyen +2
The structures and magnetic properties of the Co-Zr-B alloys near the Co5Zr composition were studied using adaptive genetic algorithm and first-principles calculations to guide fur…
Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme
Xin Zhao, Shunqing Wu, Xiaobao Lv +5
Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co.…
Unconventional phase selection in high-driven systems: A complex metastable structure prevails over simple stable phases
Zhuo Ye, Feng Zhang, Yang Sun +9
Phase selection in deeply undercooled liquids and devitrified glasses during heating involves complex interplay between the barriers to nucleation and the ability for these nuclei…
Adaptive Genetic Algorithm for Crystal Structure Prediction
S. Q. Wu, M. Ji, C. Z. Wang +5
We present a genetic algorithm (GA) for structural search that combines the speed of structure exploration by classical potentials with the accuracy of density functional theory (D…