Yonggang G. Yu
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Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory
RM Wentzcovitch, YG Yu, Z Wu
Reviews in Mineralogy and Geochemistry 71 (1), 59-98, 2010
Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements
F Yan, X Zhang, GY Yonggang, L Yu, A Nagaraja, TO Mason, A Zunger
Nature communications 6 (1), 1-8, 2015
α–β–γ transformations in Mg2SiO4 in Earth's transition zone
GY Yonggang, Z Wu, RM Wentzcovitch
Earth and Planetary Science Letters 273 (1-2), 115-122, 2008
Spin crossover of iron in aluminous MgSiO3 perovskite and post-perovskite
H Hsu, GY Yonggang, RM Wentzcovitch
Earth and Planetary Science Letters 359, 34-39, 2012
Spin transition in (Mg, Fe) SiO3 perovskite under pressure
K Umemoto, RM Wentzcovitch, GY Yonggang, R Requist
Earth and Planetary Science Letters 276 (1-2), 198-206, 2008
First principles investigation of the postspinel transition in Mg2SiO4
YG Yu, RM Wentzcovitch, T Tsuchiya, K Umemoto, DJ Weidner
Geophysical Research Letters 34 (10), 2007
Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures
GY Yonggang, X Zhang, A Zunger
Physical Review B 95 (8), 085201, 2017
Density functional study of vibrational and thermodynamic properties of ringwoodite
YG Yu, RM Wentzcovitch
Journal of Geophysical Research: Solid Earth 111 (B12), 2006
Thermodynamic properties of MgSiO3 majorite and phase transitions near 660 km depth in MgSiO3 and Mg2SiO4: A first principles study
YG Yu, RM Wentzcovitch, VL Vinograd, RJ Angel
Journal of Geophysical Research: Solid Earth 116 (B2), 2011
Spin states and hyperfine interactions of iron incorporated in MgSiO3 post-perovskite
GY Yonggang, H Hsu, M Cococcioni, RM Wentzcovitch
Earth and Planetary Science Letters 331, 1-7, 2012
Thermal elasticity of (Fex,Mg1−x)2SiO4 olivine and wadsleyite
M Nez‐Valdez, Z Wu, YG Yu, RM Wentzcovitch
Geophysical Research Letters 40 (2), 290-294, 2013
Thermoelastic properties of ringwoodite (Fex, Mg1− x) 2SiO4: Its relationship to the 520 km seismic discontinuity
MN Valdez, Z Wu, GY Yonggang, J Revenaugh, RM Wentzcovitch
Earth and Planetary Science Letters 351, 115-122, 2012
First-principles study on thermodynamic properties and phase transitions in TiS2
GY Yonggang, NL Ross
Journal of Physics: Condensed Matter 23 (5), 055401, 2011
First principles study of thermodynamics and phase transition in low‐pressure (P21/c) and high‐pressure (C2/c) clinoenstatite MgSiO3
YG Yu, RM Wentzcovitch, RJ Angel
Journal of Geophysical Research: Solid Earth 115 (B2), 2010
Phase equilibria of (Mg, Fe) 2SiO4 at the Earth’s upper mantle conditions from first-principles studies
GY Yonggang, VL Vinograd, B Winkler, RM Wentzcovitch
Physics of the Earth and Planetary Interiors 217, 36-47, 2013
Low-pressure clino-to high-pressure clinoenstatite phase transition: A phonon-related mechanism
YG Yu, RM Wentzcovitch
American Mineralogist 94 (4), 461-466, 2009
Vibrational and thermodynamic properties of Ni 3 S 2 polymorphs from first-principles calculations
GY Yonggang, NL Ross
Physics and Chemistry of Minerals 38 (3), 241-249, 2011
Pressure impact on the structure, elasticity, and electron density distribution of CaSi2O5
YG Yu, RJ Angel, NL Ross, GV Gibbs
American Physical Society, 2013
Effects of aluminum on spin-state crossover of iron in the Earth’s lower mantle
H Hsu, Y Yu, RM Wentzcovitch
Earth Planet. Sci. Lett, 359-360, 2012
Prediction of high-pressure polymorphism in NiS2 at megabar pressures
GY Yonggang, NL Ross
Journal of Physics: Condensed Matter 22 (23), 235401, 2010
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