Electronic and optical properties of mixed Be-chalcogenides
The electronic and optical properties of BeSxSe1− x, BeSxTe1− x and BeSexTe1− x,(0≤ x≤
1) are studied using the highly accurate modified Beck and Johnson (mBJ) potential. The …
1) are studied using the highly accurate modified Beck and Johnson (mBJ) potential. The …
Structural, elastic, electronic and optical properties of beryllium chalcogenides BeX (X= S, Se, Te) with zinc-blende structure
L Guo, G Hu, S Zhang, W Feng, Z Zhang - Journal of alloys and compounds, 2013 - Elsevier
The structural stability, elastic, electronic structures and optical properties of the BeX (X=
S/Se/Te) cubic compounds in zinc-blende (B3) structure have been investigated using a …
S/Se/Te) cubic compounds in zinc-blende (B3) structure have been investigated using a …
First-Principles investigations on structural, elastic, and thermodynamic properties of CaX (X= S, Se, and Te) under pressure
R Maizi, AG Boudjahem, M Boulbazine - Russian Journal of Physical …, 2019 - Springer
We have investigated the structural, elastic and thermodynamic properties of CaX (X= S, Se,
and Te) using first-principles calculations. The exchange-correlation functional employed is …
and Te) using first-principles calculations. The exchange-correlation functional employed is …
First-principles investigation on the electronic and magnetic properties of cubic Be0. 75Mn0. 25X (X= S, Se, Te)
J Li, X Xu, Y Zhou, M Zhang, X Luo - Journal of alloys and compounds, 2013 - Elsevier
The structural, electronic and magnetic parameters of Be 0.75 Mn 0.25 X (X= S, Se, Te) are
investigated using first-principles calculations. The thermodynamic stability of these Mn …
investigated using first-principles calculations. The thermodynamic stability of these Mn …
Quantum control of substitutional effects on the S-involved optoelectronic properties of BeSxSe1-X ternary alloys
The research on the quantum control of substitutional effects in BeS x Se 1-x ternary alloys
opens up exciting opportunities in semiconductor device engineering, photovoltaic …
opens up exciting opportunities in semiconductor device engineering, photovoltaic …
A first principles study of phase stability, bonding, electronic and lattice dynamical properties of beryllium chalcogenides at high pressure
The present paper reports a detailed and systematic theoretical study of structural,
mechanical, electronic, vibrational and thermodynamical properties of three beryllium …
mechanical, electronic, vibrational and thermodynamical properties of three beryllium …
Study of Structural, Elastic and Thermodynamic Properties of Metal Carbides MC (M= Ir, Rh and Ru) Using First-Principles Calculations
DFT calculations of the metal carbides MC (M= Ir, Rh and Ru) compounds in the rock-salt
RS (B1) and Zinc Blende ZB (B3) phases were performed over the structural, elastic and …
RS (B1) and Zinc Blende ZB (B3) phases were performed over the structural, elastic and …
Density functional study of structural, elastic, electronic and optical properties of BexCd1− xS, BexCd1− xSe and BexCd1− xTe alloys using FP-LAPW approach
S Chattopadhyaya, U Sarkar, B Debnath… - Physica B: Condensed …, 2019 - Elsevier
Structural, elastic, electronic and optical features of cadmium-beryllium-chalcogenide
ternary alloys Be x Cd 1− x S, Be x Cd 1− x Se and Be x Cd 1− x Te have been computed …
ternary alloys Be x Cd 1− x S, Be x Cd 1− x Se and Be x Cd 1− x Te have been computed …
Impact of stacking sequence on the tight-binding electronic band structures of (BeX) m/(ZnX) m, X= S, Se and Te superlattices
DN Talwar - Computational and Theoretical Chemistry, 2022 - Elsevier
By using a semi-empirical tight-binding sp 3 s* method, the results of comprehensive
electronic band structures are reported for the zinc-blende beryllium-and zinc …
electronic band structures are reported for the zinc-blende beryllium-and zinc …
[HTML][HTML] Strain induced modifications in the structural, electronic, and vibrational properties of beryllium chalcogenides
We have studied the strain induced modifications in the structural, electronic, and vibrational
properties of beryllium chalcogenide (groups II–VI) BeX (where X= S, Se, and Te) …
properties of beryllium chalcogenide (groups II–VI) BeX (where X= S, Se, and Te) …