activity
20172021
most citedAssessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors

46 citations · 56 across the 4 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

7 papers · 1 filter

cond-mat.mtrl-sci20212 cited

Exploring low lattice thermal conductivity materials using chemical bonding principles

Jiangang He, Yi Xia, Wenwen Lin +4

Semiconductors with very low lattice thermal conductivities are highly desired for applications relevant to thermal energy conversion and management, such as thermoelectrics and th…

cond-mat.mtrl-sci2020

Accelerated Discovery of a Large Family of Quaternary Chalcogenides with very Low Lattice Thermal Conductivity

Koushik Pal, Yi Xia, Jiahong Shen +4

The development of efficient thermal energy management devices such as thermoelectrics, barrier coatings, and thermal data-storage disks often relies on compounds that possess very…

cond-mat.mtrl-sci2020

Comparative ab initio study of the structural, electronic, magnetic, and dynamical properties of LiOsO and NaOsO

Peitao Liu, Jiangang He, Bongjae Kim +4

Despite similar chemical compositions, LiOsO and NaOsO exhibit remarkably distinct structural, electronic, magnetic, and spectroscopic properties. At low temperature, LiOsO…

cond-mat.mtrl-sci2018

Thermoelectric Alchemy: Designing A Chemical Analog to PbTe with Intrinsic High Band Degeneracy and Low Lattice Thermal Conductivity

Jiangang He, Yi Xia, S. Shahab Naghavi +2

Improving the figure of merit of thermoelectric materials requires simultaneously a high power factor and low thermal conductivity. An effective approach for increasing the po…

cond-mat.mtrl-sci2018

PdSe Monolayer: A Promising Two Dimensional Thermoelectric Material with Ultralow Lattice Thermal Conductivity and High Power Factor

S. Shahab Naghavi, Jiangang He, Yi Xia +1

A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalc…

cond-mat.mtrl-sci2018

Designing and discovering a new family of semiconducting quaternary Heusler compounds based on the 18-electron rule

Jiangang He, S. Shahab Naghavi, Vinay I. Hegde +2

Intermetallic compounds with sizable band gaps are attractive for their unusual properties but rare. Here, we present a new family of stable semiconducting quaternary Heusler compo…