Elastic, electronic, optical and thermoelectric properties of the novel Zintl-phase Ba2ZnP2

Phonon transport in Zintl Ba2ZnAs2 and Ba2ZnSb2: A first-principles study

(2022) Wenya Zhai et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

Thermoelectric Properties of Zintl Phase YbMg2Sb2

(2020) Ting Zhou et al.   CHEMISTRY OF MATERIALS

WIEN2k: An APW+lo program for calculating the properties of solids

(2020) Peter Blaha et al.   JOURNAL OF CHEMICAL PHYSICS

Promising Zintl-Phase Thermoelectric Compound SrAgSb

(2020) Weiming Zhang et al.   CHEMISTRY OF MATERIALS

First-principles analysis of physical properties anisotropy for the Ag2SiS3 chalcogenide semiconductor

(2020) M. Ya. Rudysh et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A Dual Role by Incorporation of Magnesium in YbZn 2 Sb 2 Zintl Phase for Enhanced Thermoelectric Performance

(2020) Zongwei Zhang et al.   Advanced Energy Materials

Manipulating the intrinsic vacancies for enhanced thermoelectric performance in Eu2ZnSb2 Zintl phase

(2020) Chen Chen et al.   Nano Energy

New n-Type Zintl Phases for Thermoelectrics: Discovery, Structural Characterization, and Band Engineering of the Compounds A2CdP2 (A = Sr, Ba, Eu)

(2020) Adam Balvanz et al.   CHEMISTRY OF MATERIALS

AgGaTe2 – The thermoelectric and solar cell material: Structure, electronic, optical, elastic and vibrational features

(2020) M.Ya. Rudysh et al.   INFRARED PHYSICS & TECHNOLOGY

Seebeck and Figure of Merit Enhancement by Rare Earth Doping in Yb14-xRExZnSb11 (x = 0.5)

(2019) Elizabeth Kunz Wille et al.   Materials

Thermoelectric Properties of Scandium Sesquitelluride

(2019) Dean Cheikh et al.   Materials

Limits of Cation Solubility in AMg2Sb2 (A = Mg, Ca, Sr, Ba) Alloys

(2019) Wanyue Peng et al.   Materials

Zintl-phase Eu2ZnSb2: A promising thermoelectric material with ultralow thermal conductivity

(2019) Chen Chen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Special Issue: Advances in Zintl Phases

(2019) Susan M. Kauzlarich   Materials

A critical review of roadway energy harvesting technologies

(2019) Mohammadreza Gholikhani et al.   APPLIED ENERGY

Recent advances in inorganic material thermoelectrics

(2018) Pan Ren et al.   Inorganic Chemistry Frontiers

Electronic, optical, elastic, thermoelectric and thermodynamic properties of the spinel oxides ZnRh2O4 and CdRh2O4

(2018) A. Bouhemadou et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Exploratory Work in the Quaternary System of Ca–Eu–Cd–Sb: Synthesis, Crystal, and Electronic Structures of New Zintl Solid Solutions

(2018) Alexander Ovchinnikov et al.   Materials

Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds

(2017) Jifeng Sun et al.   Journal of Materials Chemistry A

Structural, elastic and thermodynamic properties of tetragonal and orthorhombic polymorphs of Sr2GeN2: anab initioinvestigation

(2016) A. Bedjaoui et al.   HIGH PRESSURE RESEARCH

Validity of Rigid-Band Approximation in the Study of Thermoelectric Properties of p-Type FeNbSb-Based Half-Heusler Compounds

(2016) Teng Fang et al.   JOURNAL OF ELECTRONIC MATERIALS

Phase stability, structural and elastic properties of C15-type Laves transition-metal compounds MCo2 from first-principles calculations

(2015) Shuai Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Critic2: A program for real-space analysis of quantum chemical interactions in solids

(2013) A. Otero-de-la-Roza et al.   COMPUTER PHYSICS COMMUNICATIONS

Density functional theory calculation of the optical properties and topological analysis of the electron density of MBi2B2O7 (M = Ca,Zn) compounds

(2013) I. Merad Boudia et al.   JOURNAL OF APPLIED PHYSICS

First-principles prediction of charge mobility in carbon and organic nanomaterials

(2012) Jinyang Xi et al.   Nanoscale

First and second harmonic generation of the XAl2Se4 (X=Zn,Cd,Hg) defect chalcopyrite compounds

(2012) Tarik Ouahrani et al.   PHYSICA B-CONDENSED MATTER

Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors

(2012) Mal-Soon Lee et al.   PHYSICAL REVIEW B

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

The Zintl Compound Ca5Al2Sb6 for Low-Cost Thermoelectric Power Generation

(2010) Eric S. Toberer et al.   ADVANCED FUNCTIONAL MATERIALS

Electronic and optical properties of the orthorhombic compounds PdPX (X=S and Se)

(2010) A. Hamidani et al.   COMPUTATIONAL MATERIALS SCIENCE

Isolated∞1[ZnPn2]4−Chains in the Zintl Phases Ba2ZnPn2(Pn = As, Sb, Bi)—Synthesis, Structure, and Bonding

(2010) Bayrammurad Saparov et al.   INORGANIC CHEMISTRY

Elasticity, electronic structure, chemical bonding and optical properties of monoclinic ZrO2 from first-principles

(2010) Qi-Jun Liu et al.   PHYSICA B-CONDENSED MATTER

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Influence of Elastic Anisotropy on Structural Nanoscale Textures

(2008) Pol Lloveras et al.   PHYSICAL REVIEW LETTERS

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS