Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach

First principle study of opto-electronic and thermoelectric properties of Zintl Phase XIn2Z2 (X = Ca, Sr and Z = As, Sb)

(2022) H. A. Alburaih et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

The strain-induced excellent thermoelectric performance of PbTe

(2021) Donglin Guo et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Anionic variations for BaMg2X2 (X = N to Bi) compounds by density functional theory

(2021) G. Murtaza et al.   European Physical Journal Plus

A first-principle study on photoelectric characteristics of Ce-doped ZnO

(2021) Yue Feng et al.   FERROELECTRICS

First principles calculation of structural, electronic and optical properties of K-doped ZnO

(2021) Abdelhak Baizid et al.   Computational Condensed Matter

An insight into the electronic, optical and transport properties of promising Zintl-phase BaMg2P2

(2021) Junaid Munir et al.   PHYSICA B-CONDENSED MATTER

Ultralow lattice thermal conductivity enables high thermoelectric performance in BaAg2Te2 alloys

(2021) Jing Tang et al.   Materials Today Physics

Theoretical investigation of the structural stabilities, optoelectronic and thermoelectric properties of ternary alloys NaInY2 (Y = S, Se and Te) through modified Becke–Johnson exchange potential

(2020) Muhammad Shahzad Yaseen et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Anion replacement effect on BaCd2X2 (X = P, As, Sb, Bi) compounds: A first principles study

(2020) Syed Hatim Shah et al.   JOURNAL OF SOLID STATE CHEMISTRY

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

First principles study of the effect of spin-orbit coupling on thermoelectric properties of Bismuth telluride

(2020) M.Z. Mohyedin et al.   Computational and Theoretical Chemistry

Observation of an Unexpected n-Type Semiconducting Behavior in the New Ternary Zintl Phase Eu3InAs3

(2020) Kalpna Rajput et al.   CHEMISTRY OF MATERIALS

First principle study of structural, electronic, optical, and transport properties of ternary compounds NaGaX2 (X = S, Se, and Te) in tetragonal chalcopyrite phase

(2019) Muhammad Shahzad Yaseen et al.   OPTICAL AND QUANTUM ELECTRONICS

A novel family of polyiodo-bromoantimonate(III) complexes: cation-driven self-assembly of photoconductive metal-polyhalide frameworks

(2018) Sergey A. Adonin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Electronic, optical and thermoelectric investigations of Zintl phase AE 3 AlAs 3 (AE = Sr, Ba): First-principles calculations

(2018) A. Bekhti-Siad et al.   CHINESE JOURNAL OF PHYSICS

The effect of replacing pnictogen elements on the physical properties SrMg2 $\boldsymbol{X_{2}$ (${\boldsymbol{X}}=N$, P, As, Sb, Bi) Zintl compounds

(2018) G Murtaza et al.   Chinese Physics B

Effect of Varying Pnictogen Elements (Pn=N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZn2Pn2

(2018) G. Murtaza et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

Recent progresses on thermoelectric Zintl phases: Structures, materials and optimization

(2018) Ke-Feng Liu et al.   JOURNAL OF SOLID STATE CHEMISTRY

Effect of sodium p-type doping on the structural, electrical and optical properties of zinc oxide

(2017) D.E. Aimouch et al.   OPTIK

First-Principles Investigations on Structural, Elastic, Dynamical, and Thermal Properties of Earth-Abundant Nitride Semiconductor CaZn2N2 under Pressure

(2017) Ying-Qin Zhao et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

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

Isotropic Conduction Network and Defect Chemistry in Mg3+δSb2-Based Layered Zintl Compounds with High Thermoelectric Performance

(2016) Hiromasa Tamaki et al.   ADVANCED MATERIALS

Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

(2016) Yoyo Hinuma et al.   Nature Communications

Enhancement of thermoelectric performance of phase pure Zintl compounds Ca 1−x Yb x Zn 2 Sb 2 , Ca 1 −x Eu x Zn 2 Sb 2 , and Eu 1 −x Yb x Zn 2 Sb 2 by mechanical alloying and hot pressing

(2016) Jing Shuai et al.   Nano Energy

Thermoelectric Enhancement in BaGa2Sb2 by Zn Doping

(2015) Umut Aydemir et al.   CHEMISTRY OF MATERIALS

Pressure effect on the structural, elastic, electronic and optical properties of the Zintl phase KAsSn, first principles study

(2015) A. Guechi et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary arsenides ACdGeAs2 (A=K, Rb)

(2015) Sikander Azam et al.   MATERIALS RESEARCH BULLETIN

Structural, elastic, electronic and optical properties of the newly synthesized monoclinic Zintl phase BaIn2P2

(2014) N. Guechi et al.   SOLID STATE SCIENCES

First-principles study of the electronic structure, charge density, Fermi surface and optical properties of zintl phases compounds Sr 2 ZnA 2 (A=P, As and Sb)

(2013) A.H. Reshak et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Thermoelectric properties of Bi2Te3, Sb2Te3 and Bi2Se3 single crystals with magnetic impurities

(2012) V.A. Kulbachinskii et al.   JOURNAL OF SOLID STATE CHEMISTRY

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2

(2012) Andrew F. May et al.   PHYSICAL REVIEW B

Stabilizing the Optimal Carrier Concentration for High Thermoelectric Efficiency

(2011) Yanzhong Pei et al.   ADVANCED MATERIALS

Electronic structure and transport in thermoelectric compounds AZn2Sb2 (A = Sr, Ca, Yb, Eu)

(2009) Eric S. Toberer et al.   DALTON TRANSACTIONS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY