output
20102026
most citedRecent Advances and Applications of Deep Learning Methods in Materials Science

1.2k citations

Showing 2018Show all

13 papers · 1 filter

cond-mat.mtrl-sci2018★ 15 cited

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…

cond-mat.mtrl-sci2018★ 65 cited

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…

cond-mat.mtrl-sci2018★ 221 cited

Origins of diamond surface noise probed by correlating single spin measurements with surface spectroscopy

Sorawis Sangtawesin, Bo L. Dwyer, Srikanth Srinivasan +15

The nitrogen vacancy (NV) center in diamond exhibits spin-dependent fluorescence and long spin coherence times under ambient conditions, enabling applications in quantum informatio…

physics.chem-ph2018★ 115 cited

Spectroscopic Signature of Oxidized Oxygen States in Peroxides

Zengqing Zhuo, Chaitanya Das Pemmaraju, John Vinson +12

Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyon…

cond-mat.mtrl-sci2018★ 22 cited

Layer-resolved band bending at the n-SrTiO3(001)/p-Ge(001) interface

Y. Du, P. V. Sushko, S. R. Spurgeon +6

The electronic properties of epitaxial heterojunctions consisting of the prototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobility Group IV semiconductor p-Ge have…

cond-mat.mtrl-sci2018

Combined cluster and atomic displacement expansion for solid solutions and magnetism

Kevin F. Garrity

Finite temperature disordered solid solutions and magnetic materials are difficult to study directly using first principles calculations, due to the large unit cells and many indep…