Magnetic transition of ferromagnetic material at high pressure using a novel system

A system for the investigation of the magnetic properties of materials under high pressure is fabricated based on diamond anvil cell （DAC） technology. The system is designed with an improved coil arranged around the diamond of a non-magnetic DAC. Using this system, the magnetic transition of ferromagnetic （Fe） sample under increasing pressure can be observed. We successfully obtain the evolution of magnetic properties as a function of applied pressure reaching 26.9 GPa in the Fe sample. A magnetic transition is observed at approximately 13 GPa, which is consistent with the theoretical prediction.

Synthesis and characterization of a single diamond crystal with a high nitrogen concentration

In this paper, we explore diamond synthesis with a series of experiments using an Fe-Ni catalyst and a P3N5 additive in the temperature range of 1250-1550 ℃ and the pressure range of 5.0-6.3 GPa. We also investigate the influence of nitrogen on diamond crystallization. Our results show that the synthesis conditions （temperature and pressure） increase with the amount of P3N5 additive increasing. The nitrogen impurity can significantly influence the diamond morphology. The diamonds stably grow into strip and lamellar shapes in the nitrogen-rich environment. The Fourier-transform infrared spectrum shows that the nitrogen concentration increases rapidly with the content of P3N5 additive increasing. By spectrum analysis, we find that with the increase of the nitrogen concentration, the Ib-type nitrogen atoms can aggregate in the A-centre form. The highest A-centre nitrogen concentration is approximately 840 ppm.

Effects of Alcohol Addition on the Deposition of Diamond Thick Films by dc Plasma Chemical Vapor Deposition Method

Diamond films have been deposited by dc plasma chemical vapor deposition method.The addition of alcohol in the resource gas largely increases the deposition rate.The effects of alcohol addition on deposition rate and film quality are analyzed by scanning electron microscopy and Raman spectrometry.The mechanism of experimental phenomena is discussed.

Synthesis of industrial diamonds using FeNi alloy powder as catalyst

Synthesis of diamond single crystals in Fe80Ni20 C system was carried out in a cubic anvil high-pressure and high-temperature apparatus. This paper reports that the surface morphology and inclusion distribution of the grown diamonds had been observed. It finds that the inclusions in cubic and octahedral diamonds radiated along certain crystal orientation, while the inclusion distribution in cubo-octahedral diamond seemed independent of crystal orientation. By using scanning electron microscope, the surface morphology of the three shapes of diamonds was observed. The results of Mossbauer spectrum indicated that there were iron-inclusions FeaC and Fe-Ni alloy in the diamonds. According to the Fe-C phase diagram, FeaC should have formed during the quenching process. Nickel might have an inhibitory effect on the formation of Fe3C.

Chemical Synthesis and Characterization of Flaky h-BCN at High Pressure and High Temperature

Hexagonal boron carbonitrogen （h-BCN） compound is synthesized from a mixture of boron powder and CNH compound prepared by pyrolysis of melamine （CaH6N6） under high temperature （1400-1500℃） and high pressure （5.0-5.5 GPa）. X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and Raman spec- troscopy are used to determine the chemical composition and bonds of the product. The results show that the product has composition of B0.18C0.64N0.16 （near BC4N） and atomic-level hybrid. X-ray diffraction analysis indicates that the powder has a hexagonal network structure. Scanning and transmission electron microscopy results suggest that h-BCN compound morphology is mainly flaky in width about 1 μm and thickness 200nm.

Growth of gem-grade nitrogen-doped diamond crystals heavily doped with the addition of Ba(N_3)_2

Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperature gradient method. Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus. The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated. It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets. The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra. The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form, and the aggregated nitrogen concentration in diamond increases with temperature and duration. In addition, it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature. Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy. Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress, whereas diamond crystals heavily doped with the addition of Ba（N3）2 display the tensile stress.

First-principles study of structrural and corrected band properties of wurtzite Zn_(1-x)Cd_xO and Zn_(1-x)Mg_xO systems

A first-principles method based on density functional theory （DFT）,a generalized gradient approximation （GGA）,and a projector-augmented wave （PAW） are used to study the structual and band properties of wurtzite Zn1-xCdxO and Zn1-xMgxO （0 ≤ x ≤ 1） ternary alloys.By taking into account all of the possible structures,the band gaps of Zn1-xCdxO and Zn1-xMgxO alloys are corrected and compared with experimental data.

Synthesis and characterization of NaAlSi2O6 jadeite under 3.5 GPa

The high pressure and high temperature（HPHT） method is successfully used to synthesize jadeite in a temperature range of 1000℃–1400℃ under a pressure of 3.5 GPa. The initial raw materials are Na2SiO3·9H2O and Al2（SiO3）3.Through the HPHT method, the amorphous glass material is entirely converted into crystalline jadeite. We can obtain the good-quality jadeite by optimizing the reaction pressure and temperature. The measurements of x-ray diffraction（XRD）,scanning electron microscopy（SEM）, Fourier-transform infrared（FTIR） and Raman scattering indicate that the properties of synthesized jadeite at 1260℃ under 3.5 GPa are extremely similar to those of the natural jadeite. What is more, the results will be valuable for understanding the formation process of natural jadeite. This work also reveals the mechanism for metamorphism of magma in the earth.

Effects of catalyst height on diamond crystal morphology under high pressure and high temperature

The effect of the catalyst height on the morphology of diamond crystal is investigated by means of temperature gradient growth （TGG） under high pressure and high temperature （HPHT） conditions with using a Ni-based catalyst in this article. The experimental results show that the morphology of diamond changes from an octahedral shape to a cub- octahedral shape as the catalyst height rises. Moreover, the finite element method （FEM） is used to simulate the temperature field of the melted catalyst/solvent. The results show that the temperature at the location of the seed diamond continues to decrease with the increase of catalyst height, which is conducive to changing the morphology of diamond. This work provides a new way to change the diamond crystal morphology.

High-Pressure and High-Temperature Behaviour of Gallium Oxide

High-temperature and high-pressure behaviours of β-Ga2O3 powder are studied by energy-dispersive x-ray diffrac- tion in a diamond anvil cell （DAC）. It is found that the phase transition from the monoclinic β-Ga2O3 to the trigonal α-Ga2O3 occurs at around 19.2 GPa under cold compression. By heating the powder to 2000 K at 30 GPa, we confirm that α-Ga2O3 is the most stable structure at the high pressure. Furthermore, the structural transition from β-Ga2O3 to α-Ga2O3 is irreversible. After laser heating, the recrystallized Ga2O3 has a preferable （012） orientation. This interesting behaviour is also discussed.

Pressure-Induced Structural Transitions of the Zinc Sulfide Nano-particles with Different Sizes

ZnS nano-particles with average sizes of 10 nm and 5 nm were fabricated by sol-gel method, and their pressure-induced phase transformations were in-situ examined in a diamond anvil cell by energy dispersive X-ray diffraction （EDXD） from ambient pressure to 35.0 GPa. From the obtained interplanar spacing data,the volume compression ratios were derived at different pressures, and then the bulk modulus and its pressure derivative were obtained by fitting to the Murnaghan equation. It is found that both ZnS nano-particles initially in the zinc-blende phase transformed to cubic NaCl structure in the presence of pressure and the transition was reversible when the pressure was released. Moreover, it is suggested that a smaller particle size will induce a larger transition pressure.

Effects of high pressure on the Raman and fluorescence emission spectra of two novel 1,3,4-oxadiazole derivatives

The effects of pressure on the fluorescence emission and Raman spectra of 1,4-bis[（4-methyloxyphenyl）-1,3,4-oxadiazolyl]- 2,5-bisheptyloxyphenylene （OXD-2） and on the fluorescence emission spectra of 1,4-bis[（4-methylphenyl）- 1,3,4-oxadiazolyl]phenylene （OXD-1） are investigated using a diamond anvil cell. With the increase of pressure, the intensity of the fluorescence emission increases and reaches maxima at 13GPa for OXD-1 and at 9.6GPa for OXD-2. The effect of pressure on the peak position of the emission shows a similar trend, red shift with the increase of pressure. But at higher pressures, the intensity of emission drops down dramatically. The Raman spectra of OXD-2 indicate that there appears a structural change at ca 3GPa.

Dependence of Limited Growth Rate of High-Quality Gem Diamond on Growth Conditions

The growth rate of diamond has been investigated for a long time and researchers have been attempting to enhance the growth rate of high-quality gem diamond infinitely. However, it has been found according to previous research results that the quality of diamond is debased with the increase of growth rate. Thus, under specific conditions, the growth rate of high-quality diamond cannot exceed a limited value that is called the limited growth rate of diamond. We synthesize a series of type Ib gem diamonds by temperature gradient method under high pressure and high temperature （HPHT） using the as-grown {100} face. The dependence of limited growth rate on growth conditions is studied. The results show that the limited growth rate increases when synthetic temperature decreases, also when growth time is prolonged.

Spin-polarized electronic properties of NiHe_(0.25) under pressure

This paper studies the effects of He atom on the spin-polarized electronic properties of nickel under pressures using ab initio pseudopotential plan-wave method. Under high pressures, the compound of NiHeo.25 can exist and helium- bubble can not create in Ni. A pressure-induced ferromagnetic to paramagnetic phase transition has been predicted in NiHeo.25 at about 218 GPa. It is found that under pressures, the magnetic property of Ni atoms is more strongly affected by He atom than by H atom and that the behaviour of He atom in Ni are completely different from that of H atom, like the bonding characteristics and the electron transfer.

Effects of Al and Ti/Cu on Synthesis of Type-Ⅱa Diamond Crystals in NiToMn25Co5-C System at HPHT

High-quality type-Ⅱa gem diamond crystals are successfully synthesized in a NiToMn25Co5-C system by temperature gradient method （TGM） at about 5.5 GPa and 1560 K. Al and Ti/Cu are used as nitrogen getters respectively. While nitrogen getter Al or Ti/Cu is added into the synthesis system, some inclusions and caves tend to be introduced into the crystals. When Al is added into the solvent alloy, we would hardly gain high-quality type-Ⅱa diamond crystals with nitrogen concentration Nc 〈 1 ppm because of the reversible reaction of Al and N at high pressure and high temperature （HPHT）. Piowever, when Ti/Cu is added into the solvent alloy, high-quality type-Ⅱa diamond crystals with Nc 〈 1 ppm can be grown by decreasing the growth rate of diamonds.

Raman and X-Ray Investigation of Pyrope Garnet （Mg0.76Fe0.14Ca0.10）3Al2Si3O12 under High Pressure

The compressional behavlour of natural pyrope garnet is investigated by using angle-dlspersive synchrotron radiation x-ray diffraction and Raman spectroscopy in a diamond anvil cell at room temperature. The pressureinduced phase transition does not occur under given pressure. The equation of state of pyrope garnet is determined under pressure up to 25.3 GPa. The bulk modulus KTO is 199 GPa, with its first pressure derivative K′TO fixed to 4. The Raman spectra of pyrope garnet are studied. A new Raman peak nearly at 743 cm^-1 is observed in a bending vibration of the SiO4 tetrahedra frequency range at pressure of about 28 GPa. We suggest that the new Raman peak results from the lattice distortion of the SiO4 tetrahedra. All the Raman frequencies continuously increase with the increasing pressure. The average pressure derivative of the high frequency modes （650-1000 cm^-1） is larger than that of the low frequency （smaller than 650 cm^-1）. Based on these data, the mode Grǖneisen parameters for pyrope are obtained.

Effects of High Pressure on BC3

High-pressure phases of BC3 are studied within the local density approximation under the density functional theory framework. When the pressure reaches 20 GPa, the layered BC3 that is a semiconductor at ambient pressure, becomes metallic. As the pressure increases, the material changes into a network structure at about 35 GPa. To understand the mechanism of phase transitions, band structure and density of states are discussed. With the increase of pressure, the width of bands broadens and the dispersion of bands enlarges. Additionally, the density of states of the network bears great resemblance to that of diamond. Formation of the sp3 bonding in the network is the main reason for the structural transformation at 35 GPa.

Resistivity Measurement of Molten Olivine in a Laser-Heated Diamond Anvil Cell

The electrical conductivity of molten olivine is studied up to 3720K and 13.2 GPa. The results indicate that the electrical conductivity of molten olivine exhibits the perfect Arrhenius behaviour. The activation energy as well as temperature effect is much smaller than that of the solid olivine. It is expected that the high conductivity zone in the mantle is almost independent of the melting based on our experimental data.

Electronic structure and optical properties of LiXH_3 and XLiH_3 (X = Be, B or C)

The equilibrium lattice constant, the cohesive energy and the electronic properties of light metal hydrides LiXH3 and XLiH3 （X = Be, B or C） with perovskite lattice structures have been investigated by using the pseudopotential plane-wave method. Large energy gap of LiBeH3 indicates that it is insulating, but other investigated hydrides are metallic. The pressure-induced metallization of LiBeH3 is found at about 120 GPa, which is attributed to the increase of Be-p electrons with pressure. The electronegativity of the p electrons of X atom is responsible for the metallicity of the investigated LiXH3 hydrides, but the electronegativity of the s electrons of X atom plays an important role in the metallicity of the investigated XLiH3 hydrides. In order to deeply understand the investigated hydrides, their optical properties have also been investigated. The optical absorption of either LiBeH3 or BeLiH3 has a strong peak at about 5 eV, showing that their optical responses are qualitatively similar. It is also found that the optical responses of other investigated hydrides are stronger than those of LiBeH3 and BeLiH3 in lower energy ranges, especially in the case of CLiH3.

Influence of annealing treatment on as-grown Ib-type diamond crystal at a high temperature and high pressure

In this paper,we report on the influence of annealing treatment on as-grown Ib-type diamond crystal under high pressure and high temperature in a china-type cubic anvil high-pressure apparatus.Experiments are carried out at a pressure of 7.0 GPa and temperatures ranging from 1700 C to 1900 C for 1 h.Annealing treatment of the diamond crystal shows that the aggregation rate constant of nitrogen atoms in the as-grown Ib-type diamond crystal strongly depends on diamond morphology and annealing temperature.The aggregation rate constant of nitrogen remarkably increases with the increase of annealing temperature and its value in octahedral diamond is much higher than that in cubic diamond annealed at the same temperature.The colour of octahedral diamond crystal is obviously reduced from yellow to nearly colorless after annealing treatment for 1 h at 1900 C,which is induced by nitrogen aggregation in a diamond lattice.The extent of nitrogen aggregation in an annealed diamond could approach approximately 98% indicated from the infrared absorption spectra.The micro-Raman spectrum reveals that the annealing treatment can improve the crystalline quality of Ib-type diamond characterized by a half width at full maximum at first order Raman peak,and therefore the annealed diamond crystals exhibit nearly the same properties as the natural IaA-type diamond stones of high quality in the Raman measurements.