Lattice dynamic properties of Rh 2 XAl (X=Fe and Y) alloys

A Comprehensive Study on Physical Properties of Antiperovskite GeNCa3

“…Small waves in the acoustic phonons correspond to sound velocities which are correlated to C11, C12 and C44 as described in references [4,33]. Subsequently, computation of elastic constants the relevant polycrystalline features such as Bulk modulus (B), Shear modulus (G), Young's modulus (E), anisotropy factor (A) and Poisson's ratio (σ) can be collected using the following standard relationships [34]:…”

Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy

“…We have compared the calculated total magnetic moment of Rh 2 CrGe to the Slater-Pauling rule. This rule is used to calculate the total magnetic moment (M t ) of the Heusler alloys by the following formula M t = (Z t − 24), where the Z t is the valence electrons number per formula unit [16]. According to the Slater-Pauling rule, the total magnetic moment per unit cell M t is 4 µ B for Rh 2 CrGe alloy, whereas its total magnetic moment obtained by the LSDA approximation is 3.78 µ B (see Table IV).…”

“…Several researchers have found that some full-Heusler alloys are not half-metals, but they exhibit a metallic character due to the metallic nature of their spinpolarized electronic structures [16][17][18][19][20]. The Rh 2 FeAl [16] * corresponding author; e-mail: mabrekmoued22@gmail.com and Fe 2 NiZ (Z = Al, Ga, In) [17] full-Heusler alloys revealed metallic nature because the valence and the conduction bands dominate the Fermi level for two spins channels. However, Wei et al [18] found that the metallic character of Fe 2 NiTe alloy originates from the contribution of Fe-and Ni 3d states around the Fermi level.…”

B2 Kristal Yapıdaki OsAl Bileşiğinin Yapısal, Elektronik, Elastik, Termodinamik ve Fonon Özelliklerinin İncelenmesiB2 Kristal Yapıdaki OsAl Bileşiğinin Yapısal, Elektronik, Elastik, Termodinamik ve Fonon Özelliklerinin İncelenmesi

“…Örgü sabitleri ve bulk modülünün basınca göre türevleri, toplam enerji değerlerinin Murnaghan denklemi (Murnaghan, 1944. ) (Edshammar) 3.001 ----Elastik sabitler ve bulk modülünün hesaplanması için daha önce yayınlanan işlemleri ve formülleri kullandık (Arıkan, 2015, Al, 2017ve Al, 2018. OsAl'ın süneklik ve kırılganlık özelliklerini araştırmak için bulk modülünün kesme (Shear) modülüne oranı (B/G), hesaplanmıştır.…”