204 citations · 739 across the 51 of their papers we have counts for
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Adsorption-Controlled Growth of Ga2O3 by Suboxide Molecular-Beam Epitaxy
Patrick Vogt, Felix V. E. Hensling, Kathy Azizie +15
This paper introduces a growth method---suboxide molecular-beam epitaxy (S-MBE)---which enables the growth of Ga2O3 and related materials at growth rates exceeding 1 micrometer per…
Lorenz Number and Electronic Thermoelectric Figure of Merit: Thermodynamics and Direct DFT Calculations
Yi Wang, Jorge Paz Soldan Palma, Shun-Li Shang +2
The Lorenz number (L) contained in the Wiedemann-Franz law represents the ratio of two kinetic parameters of electronic charge carriers: the electronic contribution to the thermal…
A Thermochemical Database from High-throughput First-Principles Calculations and Its Application to Analyzing Phase Evolution in AM-fabricated IN718
Yi Wang, Frederick Lia, Ke Wang +7
A comprehensive thermochemical database is constructed based on high-throughput first-principles phonon calculations of over 3000 atomic structures in Ni, Fe, and Co alloys involvi…
Route to in situ synthesis of epitaxial Pr2Ir2O7 thin films guided by thermodynamic calculations
Lu Guo, Shun-Li Shang, Neil Campbell +4
In situ growth of pyrochlore iridate thin films has been a long-standing challenge due to the low reactivity of Ir at low temperatures and the vaporization of volatile gas species…
An ab initio molecular dynamics exploration of associates in Ba-Bi liquid with strong ordering trends
Jianbo Ma, Shun-Li Shang, Hojong Kim +1
Fictive associates are widely used to describe and model liquid phases with strong ordering trends. However, little evidence is known about the assumed associates in most cases. In…
Predictive Crystal Plasticity Modeling of Single Crystal Nickel Based on First-Principles Calculations
John D. Shimanek, Shipin Qin, Shun-Li Shang +2
To reduce reliance on experimental fitting data within the crystal plasticity finite element method (CPFEM), an approached is proposed that integrates first-principles calculations…
Anomalous Phonon-mode Dependence in Polarized Raman Spectroscopy of Topological Weyl Semimetal TaP
Kunyan Zhang, Xiaoqi Pang, Tong Wang +8
Topological Weyl semimetals (WSMs) have attracted widespread interests due to the chiral Weyl fermions and surface Fermi arcs that enable unique optical and transport phenomena. In…