Herein, luminescence thermal quenching (TQ) of Mn 4+-doped fluoride phosphors with a
formula A 2 XF 6: Mn 4+(A= K, Na, Rb or Cs; X= Si, Ti, Ge, Sn, Zr or Hf) is overviewed. Some …

Using the plasma oscillations theory of solids, simple relations have been proposed for the
calculation of bulk modulus (B) and microhardness (H) of group IV, II–VI, III–V, I–III–VI2 and II …

In this paper we present empirical models for groundstate properties such as bulk modulus
and cohesive energy of rocksalt, zincblendeand chalcopyritestructured solids. The bulk …

Sodium chloride has been proved that it is an effective promoter for the reduction of high-
magnesium, low-nickel oxide ore. The aim of current work is to clarify the promotion …

We developed a method for calculating the ground-state properties and fundamental band-
gaps of solids, using a generalized Kohn–Sham approach combining a local density …

Ab initio thermodynamic properties, equation of state and phase stability of periclase (MgO,
B1-type structure) have been investigated in a broad P–T range (0–160 GPa; 0–3000 K) in …

A new relation for predicting volume thermal expansion of alkali halides at high
temperatures is derived based on the assumption that the two different diffusional driving …

In the present study we have used the Vinet–Rydberg EOS for estimating the values of
pressure P, isothermal bulk modulus K and its pressure derivative K′ as a function of …

Recent studies reported that Ca and O can form calcium peroxide (CaO 2) and calcium
ozonide (CaO 3) at high pressure, while the knowledge of their physical properties is limited …

本文采用玻恩圆周轨道极化模型, 双原子分子离子位移极化模型, 分别计算了NaCl
晶体中各离子的电子位移极化率和离子位移极化率. 进一步采用点偶极子近似和双原子分子平均 …