Soft chemistry synthesis of CaMnO3 powders and films

The effect of Sr substitution on the structural and physical properties of manganite perovskites Ca1−xSrxMnO3−δ (0 ≤ x ≤ 1)

“…For CMO ( x = 0), the calculated band gap energy was found to be 0.71/0.91 eV using GGA/GGA+ U in accordance with other theoretical reports 0.78/0.96 eV 18,62 and slightly smaller than the experimental measurements 1.1–1.2 eV. 64 The band gap values of CSM1 and CSM2 orthorhombic materials were calculated to be 0.66/0.76 and 0.53/0.69 eV, and those of CSM2 and CSM3 hexagonal structures were 1.72/1.6 and 1.65/1.5 eV using GGA/GGA+ U , respectively. Unfortunately, for these compositions with 0.25 ≤ x ≤ 0.75, there are no experimental/theoretical results for comparison.…”

“…For CMO (x = 0), the calculated band gap energy was found to be 0.71/0.91 eV using GGA/GGA+U in accordance with other theoretical reports 0.78/0.96 eV 18,62 and slightly smaller than the experimental measurements 1.1-1.2 eV. 64 Table 5 Total energies (in meV f.u. À1 ) of all magnetic configurations for each composition in Ca 1Àx Sr x MnO 3 manganite perovskites.…”

Thermoelectric properties of CaMnO3 ceramics produced by using powder synthesized by modified Pechini method

“…6) is indicated by exothermic peak which occurs approximately at 1023 K. In this case, there is no mass loss according to the TG curve. According to above analyses, slightly higher calcination temperature (1073 K) was selected to assure the crystallization of the CMO at determined reaction temperature, corroborated by the literature [24]. Consequently, this chemical method led to the adoption of lower value of calcination temperature than that used in conventional solid state reaction methods [15,[25][26][27][28].…”

Potential of AMnO3 (A=Ca, Sr, Ba, La) as Active Layer in Inorganic Perovskite Solar Cells

“…Such allinorganic perovskite solar cells, usually with a caesium ion (Cs + ) have achieved power conversion efficiencies (PCE) of 0.88 % [19] in earliest version up to over 10 % [20,21] in later iterations, with obvious room for improvement. Since CaMnO 3 shows a suitable band gap in the range of 1.1-1.8 eV, [15,22,23] close to ideal for visible light absorption, we propose the usage of CaMnO 3 as an active absorber layer in a PSC. Also, modifications in the CaMnO 3 are possible, such as the substitution of calcium with other earth-alkali (Sr and Ba) and nearby elements (such as La).…”

“…[27] The influence of structural changes should, in theory, be reflected in the changes in the electronic band structure and consequently in the optical properties of the material. Since obtaining quality nanoparticles and a true thin film of this type of perovskite still remains problematic, [22] in this work we employed density functional theory (DFT), aided by experimental synthesis and measurements, to investigate electronic and optical properties of AMnO 3 perovskites in order to gauge their potential as an absorber layer in a PSC.…”