Jian He
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View article: Wannier orbital theory and angle-resolved photoemission spectroscopy for the quasi-one-dimensional conductor <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>LiMo</mml:mi><mml:mn>6</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>17</mml:mn></mml:msub></mml:mrow></mml:math>. I. Six-band <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>t</mml:mi><mml:mrow><mml:mn>2</mml:mn><mml:mi>g</mml:mi></mml:mrow></mml:msub></mml:math> Hamiltonian
Wannier orbital theory and angle-resolved photoemission spectroscopy for the quasi-one-dimensional conductor . I. Six-band Hamiltonian Open
In this and the two following papers, we present the results of a combined study by density-functional band theory and angle-resolved photoemission spectroscopy (ARPES) of lithium purple bronze, ${\mathrm{Li}}_{1x}{\mathrm{Mo}}_{6}{\mathrm…
View article: CSD 1785089: Experimental Crystal Structure Determination
CSD 1785089: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785096: Experimental Crystal Structure Determination
CSD 1785096: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785094: Experimental Crystal Structure Determination
CSD 1785094: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785095: Experimental Crystal Structure Determination
CSD 1785095: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785092: Experimental Crystal Structure Determination
CSD 1785092: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785090: Experimental Crystal Structure Determination
CSD 1785090: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785091: Experimental Crystal Structure Determination
CSD 1785091: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785097: Experimental Crystal Structure Determination
CSD 1785097: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: CSD 1785093: Experimental Crystal Structure Determination
CSD 1785093: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
View article: Anomalous Thermal Conductivity of Alkaline-Substituted Eutio3 Induced by Resonant Scattering
Anomalous Thermal Conductivity of Alkaline-Substituted Eutio3 Induced by Resonant Scattering Open
View article: Thermal properties of field‐assisted‐sintered SiCN–Y <sub>2</sub> O <sub>3</sub> composites
Thermal properties of field‐assisted‐sintered SiCN–Y <sub>2</sub> O <sub>3</sub> composites Open
Polymer‐derived amorphous SiCN has excellent high‐temperature stability and properties. To reduce the shrinkage during pyrolysis and to improve the high‐temperature oxidation resistance, Y 2 O 3 was added as a filler. In this study, polyme…
View article: CCDC 2022104: Experimental Crystal Structure Determination
CCDC 2022104: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2078802: Experimental Crystal Structure Determination
CCDC 2078802: Experimental Crystal Structure Determination Open
View article: Fast ion transport for synthesis and stabilization of β-Zn4Sb3
Fast ion transport for synthesis and stabilization of β-Zn4Sb3 Open
View article: Atomic size mismatch: What if it is too large?
Atomic size mismatch: What if it is too large? Open
View article: Structural Modularization of Cu2Te Leading to High Thermoelectric Performance near the Mott-Ioffe-Regel Limit
Structural Modularization of Cu2Te Leading to High Thermoelectric Performance near the Mott-Ioffe-Regel Limit Open
To date, thermoelectric materials research stays focused on optimizing the material’s band edge details and disfavors low mobility. Here, we shifts the paradigm from the band edge to the mobility edge, exploring high thermoelectricity near…
View article: Leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg2Pb for cryogenic heat pumping
Leveraging bipolar effect to enhance transverse thermoelectricity in semimetal Mg2Pb for cryogenic heat pumping Open
View article: Thermoelectric materials with crystal-amorphicity duality induced by large atomic size mismatch
Thermoelectric materials with crystal-amorphicity duality induced by large atomic size mismatch Open
View article: Atomic‐Scale Visualization and Quantification of Configurational Entropy in Relation to Thermal Conductivity: A Proof‐of‐Principle Study in <i>t</i>‐GeSb<sub>2</sub>Te<sub>4</sub>
Atomic‐Scale Visualization and Quantification of Configurational Entropy in Relation to Thermal Conductivity: A Proof‐of‐Principle Study in <i>t</i>‐GeSb<sub>2</sub>Te<sub>4</sub> Open
It remains a daunting task to quantify the configurational entropy of a material from atom‐revolved electron microscopy images and correlate the results with the material's lattice thermal conductivity, which strides across statics, dynami…
View article: Compositional Fluctuations Locked by Athermal Transformation Yielding High Thermoelectric Performance in GeTe
Compositional Fluctuations Locked by Athermal Transformation Yielding High Thermoelectric Performance in GeTe Open
Mistakes in Figure 2a and Figure 5e are corrected here.i) In Figure 2a, the temperature should refer to 623 K, as is mentioned in the caption, instead of 723 K, which is in the published image.ii) In Figure 5e, in the lower right inset, th…
View article: Origin of the Distinct Thermoelectric Transport Properties of Chalcopyrite ABTe<sub>2</sub> (A <b>=</b> Cu, Ag; B <b>=</b> Ga, In)
Origin of the Distinct Thermoelectric Transport Properties of Chalcopyrite ABTe<sub>2</sub> (A <b>=</b> Cu, Ag; B <b>=</b> Ga, In) Open
Despite the same crystal structure and homologous constituent elements, the chalcopyrite compounds ABTe 2 (A = Cu, Ag; B = Ga, In) exhibit distinct electronic and thermal transport properties. The aim of this work is to understand the orig…
View article: Room‐temperature plastic inorganic semiconductors for flexible and deformable electronics
Room‐temperature plastic inorganic semiconductors for flexible and deformable electronics Open
Flexible electronics ushers in a revolution to the electronics industry in the 21st century. Ideally, all components of a flexible electronic device including the functional component shall comply with the deformation to ensure the structu…
View article: Thermal transport in phase-stabilized lithium zirconate phosphates
Thermal transport in phase-stabilized lithium zirconate phosphates Open
The thermal properties of yttrium-stabilized lithium zirconate phosphate [LZP: Li1+x+yYxZr2−x(PO4)3 with x = 0.15, −0.2 ≤ y ≤ 0.4 and with x = 0.0, y = 0.0] are presented over a wide temperature range from 30 to 973 K, elucidating the inte…
View article: Highly charged interface trap states in PbS1−<i>x</i> govern electro-thermal transport
Highly charged interface trap states in PbS1−<i>x</i> govern electro-thermal transport Open
This work describes our discovery of the dominant role of highly charged interfaces on the electrothermal transport properties of PbS, along with a method to reduce the barrier potential for charge carriers by an order of magnitude. High t…
View article: Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe
Thermoelectric Figure-of-Merit of Fully Dense Single-Crystalline SnSe Open
Single-crystalline SnSe has attracted much attention because of its record high figure-of-merit ZT ≈ 2.6; however, this high ZT has been associated with the low mass density of samples which leaves the intrinsic ZT of …
View article: Bulk Hexagonal Boron Nitride with a Quasi‐Isotropic Thermal Conductivity
Bulk Hexagonal Boron Nitride with a Quasi‐Isotropic Thermal Conductivity Open
Hexagonal boron nitride (BN) is electrically insulating and has a high in‐plane thermal conductivity. However, it has a very low cross‐plane thermal conductivity which limits its application for efficient heat dissipation. Here, large BN p…
View article: Theoretical investigations of electrical transport properties in CoSb <sub>3</sub> skutterudites under hydrostatic loadings
Theoretical investigations of electrical transport properties in CoSb <sub>3</sub> skutterudites under hydrostatic loadings Open
View article: High temperature thermal energy storage in the CaAl2 system
High temperature thermal energy storage in the CaAl2 system Open
View article: High thermoelectric figure of merit by resonant dopant in half-Heusler alloys
High thermoelectric figure of merit by resonant dopant in half-Heusler alloys Open
Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.…