Equation of state of CaMnO3: a combined experimental and computational study

Abstract

Elastic properties of CaMnO 3 are of primary importance in the science and technology of CaMnO 3 -based perovskites. From X-ray diffraction experiments performed at pressures up to 100 kbar using a diamond-anvil cell to hydrostatically compress our sample, a bulk modulus, K 0 , of 1734 (96)

Structural stability of calcium-manganate based CaO(CaMnO3)m (m = 1, 2, 3, ∞) compounds for thermoelectric applications

“…This well corresponds with other reported computational and experimental data [10,11,19,37,39,41,42,50]. Hence, our all-encompassing approach involving experimental and calculated XRD investigation along with ab-initio total energy calculations could serve as a powerful tool of crystal structure refinement.…”

“…In contrast to other compounds of the CaO(CaMnO 3 ) m series, there are many evidence that CaMnO 3 (m=∞) crystallizes in the Pnma symmetry [19,37,41,42,50].…”

“…To this end, we chose the CaMnO 3 compounds as model systems since they are the most widelyinvestigated calcium-manganate RP form, both experimentally and theoretically [12,[37][38][39][40].…”

High-pressure powder x-ray diffraction study of EuVO4

“…During the last years, several studies have been carried out on the HP behavior of orthovanadates, showing that pressure is an efficient tool to improve the understanding of their physical properties [7,27]. In particular, xray diffraction (XRD) [7,[9][10][11][12][13][14][15], optical [8,16,17], and Raman scattering measurements [18][19][20][21][22] as well as theoretical studies [10, 14 , 22-27] have been carried out to understand the effects of pressure on orthovanadates. From these studies, it was determined that vanadates with small rare-earth cations (Sm and those atoms with smaller ionic radii) transform at HP to the tetragonal scheelite-type structure while those with large cations (Pr and those atoms with a larger ionic radii) transform to the monoclinic monazite-type structure (space group: P2 1 /n, Z = 4).…”

Graphene Quantum Dots Probed by Scanning Tunneling Microscopy

“…A more direct way to get rid of electronic states of the substrate is to use an insulating support with a large band gap. Hexagonal BN (hBN) is such a substrate exhibiting a band gap of 5.9 eV and the same honeycomb lattice as graphene, albeit with a 1.8 % larger lattice constant . The van‐der‐Waals bonding between graphene and hBN(0001) allows an easy preparation by stamping favorably using the dry transfer technique .…”