First principle investigation of electronic structure of CaMnO3 thermoelectric compound oxide

FP Zhang, QM Lu, X Zhang, JX Zhang - Journal of Alloys and Compounds, 2011 - Elsevier
First principle calculations are employed to investigate the anti-ferromagnetic CaMnO3 with
regard to its geometry, ground state electronic structure and charge distributions. The G-type …

Electrical transport properties of CaMnO3 thermoelectric compound: a theoretical study

FP Zhang, QM Lu, X Zhang, JX Zhang - Journal of Physics and Chemistry of …, 2013 - Elsevier
The electrical transport coefficients of anti-ferromagnetic CaMnO 3 have been investigated
by density functional theory calculation within generalized gradient approximation. The …

Electronic structure and thermal properties of doped CaMnO3 systems

FP Zhang, X Zhang, QM Lu, JX Zhang… - Journal of alloys and …, 2011 - Elsevier
The electronic and thermal properties of hole (Na) and electron (Ga) doped CaMnO3
systems are investigated based on the first principle density functional theory calculations …

Physical properties of half-metallic AMnO3 (A= Mg, Ca) oxides via ab initio calculations

B Amin, F Majid, MB Saddique, BU Haq, A Laref… - Computational Materials …, 2018 - Elsevier
In this paper, the physical properties of AMnO 3 (A= Mg, Ca) have been explored by means
of density functional theory based computational approaches. The calculations for structural …

Doping induced electronic structure and estimated thermoelectric properties of CaMnO3 system

FP Zhang, X Zhang, QM Lu, JX Zhang, YQ Liu… - Physica B: Condensed …, 2011 - Elsevier
The electronic properties of Sr doped CaMnO3 are studied using the first principle density
functional theory calculation based on a plane wave basis and pseudopotentials. The …

Thermoelectric properties of A-site substituted Lanthanide Ca0. 75R0. 25MnO3

XH Zhang, JC Li, YL Du, FN Wang, HZ Liu… - Journal of Alloys and …, 2015 - Elsevier
We present the electronic structure and thermoelectric properties of doped and intrinsic
CaMnO 3 investigated by first principles and semi-classic Boltzmann theory. The G-type anti …

Spin-phonon coupling and high-pressure phase transitions of ( and Pr): An inelastic neutron scattering and first-principles study

SK Mishra, MK Gupta, R Mittal, AI Kolesnikov… - Physical Review B, 2016 - APS
We report inelastic neutron scattering measurements over 7–1251 K in CaMn O 3 covering
various phase transitions, and over 6–150 K in PrMn O 3 covering the magnetic transition …

Preparation and improved electrical performance of the Pr-doped CaMnO3− δ thermoelectric compound

FP Zhang, QM Lu, X Zhang, JX Zhang - Physica Scripta, 2013 - iopscience.iop.org
The rare earth Pr-doped Ca 1− x Pr x MnO 3− δ (0⩽ x⩽ 0.14) compound bulk samples are
fabricated by citrate acid sol–gel combined with the ceramic preparation method. The effects …

Investigation of the structure and the magnetic behavior of nanostructure Ca1− xGdxMnO3 (x= 0.05; 0.1; 0.15; 0.2) obtained by modified glycine nitrate procedure

M Rosić, M Logar, J Zagorac, A Devečerski… - Ceramics …, 2013 - Elsevier
The synthesis, crystal structure and magnetic properties of Ca1− xGdxMnO3 (x= 0.05; 0.1;
0.15; 0.2) perovskite has been investigated. Powders with nominal compositions Ca0 …

Synthesis, structural and magnetic properties of nanostructured Ca0. 9Gd0. 1MnO3 obtained by modified glycine nitrate procedure (MGNP)

M Rosić, M Logar, A Devečerski, M Prekajski… - Ceramics …, 2011 - Elsevier
Ca0. 9Gd0. 1MnO3 nanopowders with perovskite type crystal structure were synthesized by
modified glycine nitrate procedure. Nanopowders were prepared by combining glycine with …