Xiao Zhang

activity

20232026

most citedElectron mobility of SnO2 from first principles

22 citations · 28 across the 6 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

7 papers · 1 filter

cond-mat.mtrl-sci2026

Optical properties of Ag, Au, and Cu from first principles

Xiao Zhang, Emmanouil Kioupakis

We present a comprehensive framework for investigating the optical response of metals from first principles that combines density functional theory, many-body perturbation theory,…

cond-mat.mtrl-sci2026

Thermodynamic and electronic properties of rutile Sn $_{1 - x}$ Ge $_{x}$ O $_{2}$ alloys from first principles

Yann L. Müller, Alp Umut Kurbay, Xiao Zhang +2

Rutile Sn $_{1 - x}$ Ge $_{x}$ O $_{2}$ alloys are promising materials for high-power electronic applications due to their dopability and tunable ultra-wide band gaps. We use first-principl…

cond-mat.mtrl-sci2025★ 1 cited

Cubic BeB $_{2}$ : A metastable $p$ -type conductive material from first principles

Xiao Zhang, Shashi Mishra, Elena R. Margine +1

Boron forms a wide variety of compounds with alkaline earth elements due to its unique bonding characteristics. Among these, binary compounds of Be and B display particularly rich…

cond-mat.mtrl-sci2025

Ab initio thermal conductivity of Ge $_{x}$ Sn $_{1 - x}$ O $_{2}$ alloys

Xiao Zhang, Emmanouil Kioupakis

Rutile GeO2 is an emerging ultra-wide band gap semiconductor (UWBG) that has demonstrated excellent potential for applications in power electronic devices. Alloys of rutile SnO2, a…

cond-mat.mtrl-sci2025★ 5 cited

Efficient First-Principles Framework for Overdamped Phonon Dynamics and Anharmonic Electron-Phonon Coupling in Superionic Materials

Yuxuan Wang, Marios Zacharias, Xiao Zhang +4

Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon c…

cond-mat.mtrl-sci2024★ 22 cited

Electron mobility of SnO2 from first principles

Amanda Wang, Kyle Bushick, Nick Pant +6

The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimenta…

cond-mat.mtrl-sci2023

Electronic and optical properties of 4H Si from first principles

Xiao Zhang, Emmanouil Kioupakis

The cubic polytype of silicon (Si) is the most commercialized semiconductor material and finds applications in numerous electronic and optoelectronic devices such as solar cells. H…

Optical properties of Ag, Au, and Cu from first principles

Thermodynamic and electronic properties of rutile Sn1−x​Gex​O2​ alloys from first principles

Cubic BeB2​: A metastable p-type conductive material from first principles

Ab initio thermal conductivity of Gex​Sn1−x​O2​ alloys

Efficient First-Principles Framework for Overdamped Phonon Dynamics and Anharmonic Electron-Phonon Coupling in Superionic Materials

Electron mobility of SnO2 from first principles

Electronic and optical properties of 4H Si from first principles

Thermodynamic and electronic properties of rutile Sn $_{1 - x}$ Ge $_{x}$ O $_{2}$ alloys from first principles

Cubic BeB $_{2}$ : A metastable $p$ -type conductive material from first principles

Ab initio thermal conductivity of Ge $_{x}$ Sn $_{1 - x}$ O $_{2}$ alloys