output
19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2012Show all

8 papers · 1 filter

cond-mat.mtrl-sci2012★ 178 cited

Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach

H. J. Xiang, Bing Huang, Erjun Kan +2

Diamond silicon (Si) is the leading material in current solar cell market. However, diamond Si is an indirect band gap semiconductor with a large energy difference (2.4 eV) between…

cond-mat.mtrl-sci2012★ 198 cited

Using atomic layer deposition to hinder solvent decomposition in lithium ion batteries: first principles modeling and experimental studies

Kevin Leung, Yue Qi, Kevin R. Zavadil +5

Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) c…

cond-mat.mtrl-sci2012★ 140 cited

In-Plane Orbital Texture Switch at the Dirac Point in the Topological Insulator Bi2Se3

Yue Cao, J. A. Waugh, X. -W. Zhang +13

Topological insulators are novel macroscopic quantum-mechanical phase of matter, which hold promise for realizing some of the most exotic particles in physics as well as applicatio…

cond-mat.mtrl-sci2012★ 139 cited

Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3

Heng-Rui Liu, Ji-Hui Yang, H. J. Xiang +2

ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles band structure calculati…

cond-mat.mtrl-sci2012★ 85 cited

First-principles study on the effective masses of zinc-blend-derived Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se)

Heng-Rui Liu, Shiyou Chen, Ying-Teng Zhai +3

The electron and hole effective masses of kesterite (KS) and stannite (ST) structured Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se) semiconductors are systematically studied usin…

cond-mat.str-el2012★ 144 cited

Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3

J. H. Yang, Z. L. Li, X. Z. Lu +4

By performing density functional calculations, we investigate the origin of the skyrmion state and ferroelectricity in Cu2OSeO3. We find that the Dzyaloshinskii-Moriya interactions…

cond-mat.mtrl-sci2012★ 42 cited

Si3AlP: A new promising material for solar cell absorber

Ji-Hui Yang, Yingteng Zhai, Hengrui Liu +3

First-principles calculations are performed to study the structural and optoelectronic properties of the newly synthesized nonisovalent and lattice-matched (Si2)0.6(AlP)0.4 alloy […

cond-mat.mtrl-sci2012★ 19 cited

Room-Temperature Silicon Band-Edge Photoluminescence Enhanced by Spin-Coated Sol-Gel Films

Sufian Abedrabbo, Bashar Lahlouh, Sudhakar Shet +1

Photoluminescence is observed at room temperature from phonon-assisted band-to-band emission in Si (1.067 eV peak) using unpatterned bulk p-type silicon wafer samples that were spi…