Phase transformation and elastic behavior of MgX (X=S, Se, Te) alkaline earth chalcogenides

Phase transition and thermodynamic properties of MgTe under high pressure

“…[18] microscopic point of view. The calculated equilibrium lattice constants a, elastic constants C ij , zero-pressure bulk modulus B 0 and its pressure derivation B 0 from the Birch-Murnaghan equation of state (EOS) [17] are listed in Table 1, together with other theoretical results [5][6][7][18][19][20][21][22][23][24][25][26][27]4] and the experimental data [28]. The agreements among them are good.…”

Atomistic simulation of MgS polymorphs

“…MgS has a very important closed‐shell ionic system crystallized in the NaCl‐type (B1) structure at ambient conditions 4, 5 and crystallized in the fourfold‐coordinated cubic zinc‐blende structure (B3) at room temperature 6. MgS is a wide‐band‐gap semiconductor (the band gap certainly exceeds 4.5 eV at room temperature).…”

Computational investigations of mechanical and vibrational properties of quaternary semiconductor alloys MgxZn1-xSySe1-y

“…[1][2][3][4][5][6][7][8][9][10][11][12][13] For basic understanding of these materials, a qualitative knowledge of the physical properties is required. Recently, there are many experimental techniques of fabrication developed and there are many theoretical methods also developed to understand their physical properties.…”

“…Recently, there are many experimental techniques of fabrication developed and there are many theoretical methods also developed to understand their physical properties. [1][2][3][4][5][6][7][8][9][10][11][12][13] In spite of the technological importance and usefulness of these materials in the fabrication of various optoelectronics devices, very few research papers [1][2][3][4][5][6][7][8][9][10][11][12][13] have been reported so far.…”